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PREFIX ot:<http://www.opentox.org/api/1.1#>
PREFIX ota:<http://www.opentox.org/algorithmTypes.owl#>
PREFIX owl:<http://www.w3.org/2002/07/owl#>
PREFIX dc:<http://purl.org/dc/elements/1.1/>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX rdf:<http://www.w3.org/1999/02/22-rdf-syntax-ns#>
PREFIX bibrdf:<http://zeitkunst.org/bibtex/0.1/bibtex.owl#>
PREFIX bo:<http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#>
select ?descriptor ?label ?cites ?doi ?definition ?requires ?category ?contributor
		where {
	        {{?descriptor rdf:type bo:Algorithm} UNION {?descriptor rdf:type bo:MolecularDescriptor}}.
   		OPTIONAL {?descriptor rdfs:label ?label}.
                OPTIONAL {?descriptor bo:definition ?definition}.
                OPTIONAL {?descriptor dc:contributor ?contributor}.
                OPTIONAL {?descriptor bo:isClassifiedAs ?category}.
                OPTIONAL {?descriptor bo:requires?requires}.
                OPTIONAL {
                    ?descriptor bo:cites ?cites.
                    ?cites bibrdf:hasTitle ?title.
					 OPTIONAL {?cites bo:DOI ?doi.}
                }.
		}

Results [found in 1 ms]

descriptor	label	cites	doi	definition	requires	category	contributor
http://opentox.org/ontology/ist-algorithms.owl#lazar ?		http://opentox.org/ontology/ist-algorithms.owl#HEL2005 ?	10.1007/s11030-005-9001-5		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?
http://opentox.org/ontology/ist-algorithms.owl#lazar ?		http://opentox.org/ontology/ist-algorithms.owl#MAU2008 ?	10.1080/10629360802358430		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#apol ?	Atomic Polarizabilities			Descriptor that calculates the sum of the atomic polarizabilities (including implicit hydrogens).	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#apol ?	Atomic Polarizabilities			Descriptor that calculates the sum of the atomic polarizabilities (including implicit hydrogens).	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#apol ?	Atomic Polarizabilities			Descriptor that calculates the sum of the atomic polarizabilities (including implicit hydrogens).	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#apol ?	Atomic Polarizabilities			Descriptor that calculates the sum of the atomic polarizabilities (including implicit hydrogens).	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#atomCount ?	Element Count			Descriptor based on the number of atoms of a certain element type.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#atomCount ?	Element Count			Descriptor based on the number of atoms of a certain element type.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#aromaticAtomsCount ?	Aromatic Atoms Count			Descriptor based on the number of aromatic atoms of a molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#aromaticAtomsCount ?	Aromatic Atoms Count			Descriptor based on the number of aromatic atoms of a molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#aromaticBondsCount ?	Aromatic Bonds Count			Descriptor based on the number of aromatic bonds of a molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#aromaticBondsCount ?	Aromatic Bonds Count			Descriptor based on the number of aromatic bonds of a molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#aromaticBondsCount ?	Aromatic Bonds Count			Descriptor based on the number of aromatic bonds of a molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#aromaticBondsCount ?	Aromatic Bonds Count			Descriptor based on the number of aromatic bonds of a molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#BCUT ?	BCUT	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#PEA99 ?	10.1021/ci980137x	Eigenvalue based descriptor noted for its utility in chemical diversity described by Pearlman et al. <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="PEA99"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hybridDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#BCUT ?	BCUT	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#PEA99 ?	10.1021/ci980137x	Eigenvalue based descriptor noted for its utility in chemical diversity described by Pearlman et al. <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="PEA99"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hybridDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#BCUT ?	BCUT	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#PEA99 ?	10.1021/ci980137x	Eigenvalue based descriptor noted for its utility in chemical diversity described by Pearlman et al. <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="PEA99"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hybridDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#BCUT ?	BCUT	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#PEA99 ?	10.1021/ci980137x	Eigenvalue based descriptor noted for its utility in chemical diversity described by Pearlman et al. <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="PEA99"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hybridDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#bondCount ?	Bond Count			Descriptor based on the number of bonds of a certain bond order.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#bondCount ?	Bond Count			Descriptor based on the number of bonds of a certain bond order.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#bondCount ?	Bond Count			Descriptor based on the number of bonds of a certain bond order.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#bondCount ?	Bond Count			Descriptor based on the number of bonds of a certain bond order.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#bpol ?	Bond Polarizabilities			Descriptor that calculates the sum of the absolute value of the difference between atomic polarizabilities of all bonded atoms in the molecule (including implicit hydrogens).		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#bpol ?	Bond Polarizabilities			Descriptor that calculates the sum of the absolute value of the difference between atomic polarizabilities of all bonded atoms in the molecule (including implicit hydrogens).		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#bpol ?	Bond Polarizabilities			Descriptor that calculates the sum of the absolute value of the difference between atomic polarizabilities of all bonded atoms in the molecule (including implicit hydrogens).		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#bpol ?	Bond Polarizabilities			Descriptor that calculates the sum of the absolute value of the difference between atomic polarizabilities of all bonded atoms in the molecule (including implicit hydrogens).		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chi1v ?	Valence connectivity index (order 1)			Descriptor that calculates atomic valence connectivity index (order 1).		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chi1v ?	Valence connectivity index (order 1)			Descriptor that calculates atomic valence connectivity index (order 1).		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chi1vC ?	Valence carbon connectivity index (order 1)			Descriptor that calculates carbon valence connectivity index (order 1).		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chi1vC ?	Valence carbon connectivity index (order 1)			Descriptor that calculates carbon valence connectivity index (order 1).		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chi0v ?	Valence connectivity index (order 0)			Descriptor that calculates atomic valence connectivity index (order 0).		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chi0v ?	Valence connectivity index (order 0)			Descriptor that calculates atomic valence connectivity index (order 0).		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chi0vC ?	Valence carbon connectivity index (order 0)			Descriptor that calculates carbon valence connectivity index (order 0).		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chi0vC ?	Valence carbon connectivity index (order 0)			Descriptor that calculates carbon valence connectivity index (order 0).		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chi0C ?	Carbon connectivity index (order 0)			Descriptor that calculates the carbon connectivity index (order 0).		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chi0C ?	Carbon connectivity index (order 0)			Descriptor that calculates the carbon connectivity index (order 0).		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chi1C ?	Carbon connectivity index (order 1)			Descriptor that calculates carbon connectivity index (order 1).		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chi1C ?	Carbon connectivity index (order 1)			Descriptor that calculates carbon connectivity index (order 1).		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#gravitationalIndex ?	Gravitational Index	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#KAT96 ?	10.1021/jp953224q	Descriptor characterizing the mass distribution of the molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#gravitationalIndex ?	Gravitational Index	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#KAT96 ?	10.1021/jp953224q	Descriptor characterizing the mass distribution of the molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#gravitationalIndex ?	Gravitational Index	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#KAT96 ?	10.1021/jp953224q	Descriptor characterizing the mass distribution of the molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#gravitationalIndex ?	Gravitational Index	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#KAT96 ?	10.1021/jp953224q	Descriptor characterizing the mass distribution of the molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#gravitationalIndex_SquareAndCubeRoots ?	Gravitational Index (Square and Cube Roots)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#WES98 ?	10.1021/ci980029a	Descriptor characterizing the mass distribution of the molecule as the square or cube root of the gravitational index.			http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#gravitationalIndex_SquareAndCubeRoots ?	Gravitational Index (Square and Cube Roots)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#WES98 ?	10.1021/ci980029a	Descriptor characterizing the mass distribution of the molecule as the square or cube root of the gravitational index.			http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#gravitationalIndex_SquareAndCubeRoots ?	Gravitational Index (Square and Cube Roots)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#WES98 ?	10.1021/ci980029a	Descriptor characterizing the mass distribution of the molecule as the square or cube root of the gravitational index.			http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#gravitationalIndex_SquareAndCubeRoots ?	Gravitational Index (Square and Cube Roots)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#WES98 ?	10.1021/ci980029a	Descriptor characterizing the mass distribution of the molecule as the square or cube root of the gravitational index.			http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondacceptors ?	Hydrogen Bond Acceptors			Descriptor that calculates the number of hydrogen bond acceptors.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondacceptors ?	Hydrogen Bond Acceptors			Descriptor that calculates the number of hydrogen bond acceptors.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondacceptors ?	Hydrogen Bond Acceptors			Descriptor that calculates the number of hydrogen bond acceptors.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondacceptors ?	Hydrogen Bond Acceptors			Descriptor that calculates the number of hydrogen bond acceptors.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondDonors ?	Hydrogen Bond Donors			Descriptor that calculates the number of hydrogen bond donors.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondDonors ?	Hydrogen Bond Donors			Descriptor that calculates the number of hydrogen bond donors.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondacceptorsDaylight ?	Hydrogen Bond Acceptors (Daylight)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#DAY01 ?		Descriptor that calculates the number of hydrogen bond acceptors.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondacceptorsDaylight ?	Hydrogen Bond Acceptors (Daylight)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#DAY01 ?		Descriptor that calculates the number of hydrogen bond acceptors.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondacceptorsDaylight ?	Hydrogen Bond Acceptors (Daylight)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#DAY01 ?		Descriptor that calculates the number of hydrogen bond acceptors.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondacceptorsDaylight ?	Hydrogen Bond Acceptors (Daylight)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#DAY01 ?		Descriptor that calculates the number of hydrogen bond acceptors.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondacceptorsDaylight ?	Hydrogen Bond Acceptors (Daylight)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#DAY01 ?		Descriptor that calculates the number of hydrogen bond acceptors.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondacceptorsDaylight ?	Hydrogen Bond Acceptors (Daylight)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#DAY01 ?		Descriptor that calculates the number of hydrogen bond acceptors.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondacceptorsDaylight ?	Hydrogen Bond Acceptors (Daylight)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#DAY01 ?		Descriptor that calculates the number of hydrogen bond acceptors.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondacceptorsDaylight ?	Hydrogen Bond Acceptors (Daylight)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#DAY01 ?		Descriptor that calculates the number of hydrogen bond acceptors.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondDonorsDaylight ?	Hydrogen Bond Donors (Daylight)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#DAY01 ?		Descriptor that calculates the number of hydrogen bond donors.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondDonorsDaylight ?	Hydrogen Bond Donors (Daylight)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#DAY01 ?		Descriptor that calculates the number of hydrogen bond donors.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondDonorsDaylight ?	Hydrogen Bond Donors (Daylight)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#DAY01 ?		Descriptor that calculates the number of hydrogen bond donors.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondDonorsDaylight ?	Hydrogen Bond Donors (Daylight)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#DAY01 ?		Descriptor that calculates the number of hydrogen bond donors.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondAcceptorsBoehmKlebe ?	Acceptor Field Atoms (Boehm,Klebe)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#BK02 ?	10.1021/jm011039x	Counts the number of acceptor field atoms for a carbonyl oxygen probe.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#jkw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondAcceptorsBoehmKlebe ?	Acceptor Field Atoms (Boehm,Klebe)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#BK02 ?	10.1021/jm011039x	Counts the number of acceptor field atoms for a carbonyl oxygen probe.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#jkw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondAcceptorsBoehmKlebe ?	Acceptor Field Atoms (Boehm,Klebe)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#BK02 ?	10.1021/jm011039x	Counts the number of acceptor field atoms for a carbonyl oxygen probe.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#jkw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondAcceptorsBoehmKlebe ?	Acceptor Field Atoms (Boehm,Klebe)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#BK02 ?	10.1021/jm011039x	Counts the number of acceptor field atoms for a carbonyl oxygen probe.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#jkw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondDonorsBoehmKlebe ?	Donor Field Atoms (Boehm,Klebe)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#BK02 ?	10.1021/jm011039x	Counts the number of donor field atoms for an amino hydrogen probe.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#jkw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondDonorsBoehmKlebe ?	Donor Field Atoms (Boehm,Klebe)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#PL96 ?	10.1021/cr950066q	Counts the number of donor field atoms for an amino hydrogen probe.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#jkw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondDonorsBoehmKlebe ?	Donor Field Atoms (Boehm,Klebe)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#BK02 ?	10.1021/jm011039x	Counts the number of donor field atoms for an amino hydrogen probe.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#jkw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondDonorsBoehmKlebe ?	Donor Field Atoms (Boehm,Klebe)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#PL96 ?	10.1021/cr950066q	Counts the number of donor field atoms for an amino hydrogen probe.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#jkw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondDonorsBoehmKlebe ?	Donor Field Atoms (Boehm,Klebe)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#BK02 ?	10.1021/jm011039x	Counts the number of donor field atoms for an amino hydrogen probe.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#jkw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondDonorsBoehmKlebe ?	Donor Field Atoms (Boehm,Klebe)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#PL96 ?	10.1021/cr950066q	Counts the number of donor field atoms for an amino hydrogen probe.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#jkw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondDonorsBoehmKlebe ?	Donor Field Atoms (Boehm,Klebe)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#BK02 ?	10.1021/jm011039x	Counts the number of donor field atoms for an amino hydrogen probe.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#jkw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondDonorsBoehmKlebe ?	Donor Field Atoms (Boehm,Klebe)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#PL96 ?	10.1021/cr950066q	Counts the number of donor field atoms for an amino hydrogen probe.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#jkw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondAcceptorsDonorsBoehmKlebe ?	Acceptors or Donors Field Atoms (Boehm,Klebe)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#BK02 ?	10.1021/jm011039x	Counts the number of acceptor/donor field atoms for a carbonyl oxygen or amino hydrogen probe.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#jkw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondAcceptorsDonorsBoehmKlebe ?	Acceptors or Donors Field Atoms (Boehm,Klebe)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#BK02 ?	10.1021/jm011039x	Counts the number of acceptor/donor field atoms for a carbonyl oxygen or amino hydrogen probe.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#jkw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondAcceptorsDonorsBoehmKlebe ?	Acceptors or Donors Field Atoms (Boehm,Klebe)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#BK02 ?	10.1021/jm011039x	Counts the number of acceptor/donor field atoms for a carbonyl oxygen or amino hydrogen probe.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#jkw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hBondAcceptorsDonorsBoehmKlebe ?	Acceptors or Donors Field Atoms (Boehm,Klebe)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#BK02 ?	10.1021/jm011039x	Counts the number of acceptor/donor field atoms for a carbonyl oxygen or amino hydrogen probe.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#jkw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#kierValues ?	Kier and Hall kappa molecular shape indices			Descriptor that calculates Kier and Hall kappa molecular shape indices.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#kierValues ?	Kier and Hall kappa molecular shape indices			Descriptor that calculates Kier and Hall kappa molecular shape indices.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#largestChain ?	Largest Chain			Returns the number of atoms in the largest chain		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chhoppe ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#largestChain ?	Largest Chain			Returns the number of atoms in the largest chain		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chhoppe ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#largestPiSystem ?	Largest Pi Chain			Returns the number of atoms in the largest pi chain		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chhoppe ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#largestPiSystem ?	Largest Pi Chain			Returns the number of atoms in the largest pi chain		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chhoppe ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#lipinskifailures ?	Lipinski's Rule of Five			This Class contains a method that returns the number failures of the Lipinski's Rule Of Five.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#lipinskifailures ?	Lipinski's Rule of Five			This Class contains a method that returns the number failures of the Lipinski's Rule Of Five.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#lipinskifailures ?	Lipinski's Rule of Five			This Class contains a method that returns the number failures of the Lipinski's Rule Of Five.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#lipinskifailures ?	Lipinski's Rule of Five			This Class contains a method that returns the number failures of the Lipinski's Rule Of Five.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#longestAliphaticChain ?	Longest Aliphatic Chain			Returns the number of atoms in the longest aliphatic chain		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chhoppe ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#longestAliphaticChain ?	Longest Aliphatic Chain			Returns the number of atoms in the longest aliphatic chain		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chhoppe ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#momentOfInertia ?	Moments of Inertia			Descriptor that calculates the principal moments of inertia and ratios of the principal moments. Als calculates the radius of gyration.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#momentOfInertia ?	Moments of Inertia			Descriptor that calculates the principal moments of inertia and ratios of the principal moments. Als calculates the radius of gyration.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#momentOfInertia ?	Moments of Inertia			Descriptor that calculates the principal moments of inertia and ratios of the principal moments. Als calculates the radius of gyration.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#momentOfInertia ?	Moments of Inertia			Descriptor that calculates the principal moments of inertia and ratios of the principal moments. Als calculates the radius of gyration.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#partialSigmaCharge ?	Partial Pi Charge	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#MARSILI ?	10.1016/0040-4020(80)80168-2	Descriptor that calculates sigma partial charges in sigma-bonded systems (PEOE) of an heavy atom.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mrc ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#partialSigmaCharge ?	Partial Pi Charge	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#MARSILI ?	10.1016/0040-4020(80)80168-2	Descriptor that calculates sigma partial charges in sigma-bonded systems (PEOE) of an heavy atom.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mrc ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#petitjeanNumber ?	Petitjean Number			Descriptor that calculates the Petitjean Number of a molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#petitjeanNumber ?	Petitjean Number			Descriptor that calculates the Petitjean Number of a molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rdfProtonCalculatedValues ?	RDF Proton Descriptor	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GAST2002 ?	10.1021/ac010737m	Calculation of RDF proton descriptor based on <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="GAST2002"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rdfProtonCalculatedValues ?	RDF Proton Descriptor	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GAST2002 ?	10.1021/ac010737m	Calculation of RDF proton descriptor based on <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="GAST2002"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rdfProtonCalculatedValues ?	RDF Proton Descriptor	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GAST2002 ?	10.1021/ac010737m	Calculation of RDF proton descriptor based on <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="GAST2002"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rdfProtonCalculatedValues ?	RDF Proton Descriptor	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GAST2002 ?	10.1021/ac010737m	Calculation of RDF proton descriptor based on <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="GAST2002"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rdfProtonCalculatedValues ?	RDF Proton Descriptor	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GAST2002 ?	10.1021/ac010737m	Calculation of RDF proton descriptor based on <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="GAST2002"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rdfProtonCalculatedValues ?	RDF Proton Descriptor	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GAST2002 ?	10.1021/ac010737m	Calculation of RDF proton descriptor based on <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="GAST2002"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rdfProtonCalculatedValues ?	RDF Proton Descriptor	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GAST2002 ?	10.1021/ac010737m	Calculation of RDF proton descriptor based on <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="GAST2002"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rdfProtonCalculatedValues ?	RDF Proton Descriptor	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GAST2002 ?	10.1021/ac010737m	Calculation of RDF proton descriptor based on <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="GAST2002"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rdfProtonCalculatedValues ?	RDF Proton Descriptor	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GAST2002 ?	10.1021/ac010737m	Calculation of RDF proton descriptor based on <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="GAST2002"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rdfProtonCalculatedValues ?	RDF Proton Descriptor	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GAST2002 ?	10.1021/ac010737m	Calculation of RDF proton descriptor based on <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="GAST2002"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rdfProtonCalculatedValues ?	RDF Proton Descriptor	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GAST2002 ?	10.1021/ac010737m	Calculation of RDF proton descriptor based on <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="GAST2002"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rdfProtonCalculatedValues ?	RDF Proton Descriptor	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GAST2002 ?	10.1021/ac010737m	Calculation of RDF proton descriptor based on <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="GAST2002"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rotatableBondsCount ?	Rotatable Bonds Count	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#DAY01 ?		Descriptor that calculates the number of nonrotatable bonds on a molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rotatableBondsCount ?	Rotatable Bonds Count	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#DAY01 ?		Descriptor that calculates the number of nonrotatable bonds on a molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#tpsa ?	Topological Polar Surface Area	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#ERTL2000 ?	10.1021/jm000942e	Calculation of topological polar surface area based on fragment contributions <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="ERTL2000"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#tpsa ?	Topological Polar Surface Area	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#ERTL2000 ?	10.1021/jm000942e	Calculation of topological polar surface area based on fragment contributions <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="ERTL2000"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#tpsa ?	Topological Polar Surface Area	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#ERTL2000 ?	10.1021/jm000942e	Calculation of topological polar surface area based on fragment contributions <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="ERTL2000"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#tpsa ?	Topological Polar Surface Area	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#ERTL2000 ?	10.1021/jm000942e	Calculation of topological polar surface area based on fragment contributions <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="ERTL2000"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#tpsa ?	Topological Polar Surface Area	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#ERTL2000 ?	10.1021/jm000942e	Calculation of topological polar surface area based on fragment contributions <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="ERTL2000"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#tpsa ?	Topological Polar Surface Area	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#ERTL2000 ?	10.1021/jm000942e	Calculation of topological polar surface area based on fragment contributions <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="ERTL2000"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#tpsa ?	Topological Polar Surface Area	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#ERTL2000 ?	10.1021/jm000942e	Calculation of topological polar surface area based on fragment contributions <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="ERTL2000"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#tpsa ?	Topological Polar Surface Area	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#ERTL2000 ?	10.1021/jm000942e	Calculation of topological polar surface area based on fragment contributions <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="ERTL2000"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#weight ?	Molecular Weight			Descriptor based on the weight of atoms of a certain element type. If no element is specified, the returned value is the Molecular Weight		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#weight ?	Molecular Weight			Descriptor based on the weight of atoms of a certain element type. If no element is specified, the returned value is the Molecular Weight		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#weight ?	Molecular Weight			Descriptor based on the weight of atoms of a certain element type. If no element is specified, the returned value is the Molecular Weight		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#weight ?	Molecular Weight			Descriptor based on the weight of atoms of a certain element type. If no element is specified, the returned value is the Molecular Weight		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#WHIM ?	WHIM	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#TOD98 ?		Holistic descriptors described by Todeschini et al <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="TOD98"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hybridDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#WHIM ?	WHIM	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#TOD98 ?		Holistic descriptors described by Todeschini et al <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="TOD98"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hybridDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#WHIM ?	WHIM	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#TOD98 ?		Holistic descriptors described by Todeschini et al <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="TOD98"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hybridDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#WHIM ?	WHIM	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#TOD98 ?		Holistic descriptors described by Todeschini et al <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="TOD98"></bibtex:cite> .		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hybridDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#wienerNumbers ?	Wiener Numbers			This class calculates Wiener path number and Wiener polarity number.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#wienerNumbers ?	Wiener Numbers			This class calculates Wiener path number and Wiener polarity number.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#vAdjMa ?	Vertex adjacency information magnitude			Descriptor that calculates the vertex adjacency information of a molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#vAdjMa ?	Vertex adjacency information magnitude			Descriptor that calculates the vertex adjacency information of a molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#vAdjMa ?	Vertex adjacency information magnitude			Descriptor that calculates the vertex adjacency information of a molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#vAdjMa ?	Vertex adjacency information magnitude			Descriptor that calculates the vertex adjacency information of a molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#xlogP ?	XLogP	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#WANG97 ?	10.1021/ci960169p	Prediction of logP based on the atom-type method called XLogP.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#xlogP ?	XLogP	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#WANG97 ?	10.1021/ci960169p	Prediction of logP based on the atom-type method called XLogP.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#xlogP ?	XLogP	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#WANG97 ?	10.1021/ci960169p	Prediction of logP based on the atom-type method called XLogP.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#xlogP ?	XLogP	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#WANG97 ?	10.1021/ci960169p	Prediction of logP based on the atom-type method called XLogP.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#ALOGP ?	ALogP			Calculates atom additive logP and molar refractivity values as described by Ghose and Crippen <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="GHOSE1986"></bibtex:cite> and <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="GHOSE1987"></bibtex:cite>		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#tm ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#ALOGP ?	ALogP			Calculates atom additive logP and molar refractivity values as described by Ghose and Crippen <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="GHOSE1986"></bibtex:cite> and <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="GHOSE1987"></bibtex:cite>		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#tm ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#zagrebIndex ?	Zagreb Index			The sum of the squared atom degrees of all heavy atoms.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#zagrebIndex ?	Zagreb Index			The sum of the squared atom degrees of all heavy atoms.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#zagrebIndex ?	Zagreb Index			The sum of the squared atom degrees of all heavy atoms.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#zagrebIndex ?	Zagreb Index			The sum of the squared atom degrees of all heavy atoms.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mf ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#petitjeanShapeIndex ?	Petitjean Shape Indices			The topological and geometric shape indices described Petitjean and Bath et al. respectively. Both measure the anisotropy in a molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#petitjeanShapeIndex ?	Petitjean Shape Indices			The topological and geometric shape indices described Petitjean and Bath et al. respectively. Both measure the anisotropy in a molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#petitjeanShapeIndex ?	Petitjean Shape Indices			The topological and geometric shape indices described Petitjean and Bath et al. respectively. Both measure the anisotropy in a molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#petitjeanShapeIndex ?	Petitjean Shape Indices			The topological and geometric shape indices described Petitjean and Bath et al. respectively. Both measure the anisotropy in a molecule.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#ringCount ?	Ring Count			Descriptor that counts the number of rings in the molecules. Optionally, it counts the number rings with a specified number of ring atoms.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#ringCount ?	Ring Count			Descriptor that counts the number of rings in the molecules. Optionally, it counts the number rings with a specified number of ring atoms.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#elw ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#eccentricConnectivityIndex ?	Eccentric Connectivity Index			A topological descriptor combining distance and adjacency information.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#eccentricConnectivityIndex ?	Eccentric Connectivity Index			A topological descriptor combining distance and adjacency information.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#CPSA ?	Charged Partial Surface Areas			A variety of descriptors combining surface area and partial charge information		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#CPSA ?	Charged Partial Surface Areas			A variety of descriptors combining surface area and partial charge information		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#CPSA ?	Charged Partial Surface Areas			A variety of descriptors combining surface area and partial charge information		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#CPSA ?	Charged Partial Surface Areas			A variety of descriptors combining surface area and partial charge information		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#NilaComplexity ?	Fragment Complexity			Class that returns the complexity of a system. The complexity is defined as @cdk.cite{Nilakantan06}		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chhoppe ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#NilaComplexity ?	Fragment Complexity			Class that returns the complexity of a system. The complexity is defined as @cdk.cite{Nilakantan06}		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chhoppe ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#weightedPath ?	Weighted path descriptors			The weighted path (molecular ID) descriptors described by Randic. They characterize molecular branching.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#weightedPath ?	Weighted path descriptors			The weighted path (molecular ID) descriptors described by Randic. They characterize molecular branching.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#autoCorrelationCharge ?	Moreau-Broto Autocorrelation (charge) descriptors			The Moreau-Broto autocorrelation descriptors using partial charges		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#autoCorrelationCharge ?	Moreau-Broto Autocorrelation (charge) descriptors			The Moreau-Broto autocorrelation descriptors using partial charges		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#fm ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#autoCorrelationCharge ?	Moreau-Broto Autocorrelation (charge) descriptors			The Moreau-Broto autocorrelation descriptors using partial charges		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#autoCorrelationCharge ?	Moreau-Broto Autocorrelation (charge) descriptors			The Moreau-Broto autocorrelation descriptors using partial charges		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#fm ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#autoCorrelationPolarizability ?	Moreau-Broto Autocorrelation (polarizability) descriptors			The Moreau-Broto autocorrelation descriptors using polarizability		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#autoCorrelationPolarizability ?	Moreau-Broto Autocorrelation (polarizability) descriptors			The Moreau-Broto autocorrelation descriptors using polarizability		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#fm ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#autoCorrelationPolarizability ?	Moreau-Broto Autocorrelation (polarizability) descriptors			The Moreau-Broto autocorrelation descriptors using polarizability		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#autoCorrelationPolarizability ?	Moreau-Broto Autocorrelation (polarizability) descriptors			The Moreau-Broto autocorrelation descriptors using polarizability		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#fm ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#autoCorrelationMass ?	Moreau-Broto Autocorrelation (mass) descriptors			The Moreau-Broto autocorrelation descriptors using atomic weight		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#autoCorrelationMass ?	Moreau-Broto Autocorrelation (mass) descriptors			The Moreau-Broto autocorrelation descriptors using atomic weight		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#fm ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#autoCorrelationMass ?	Moreau-Broto Autocorrelation (mass) descriptors			The Moreau-Broto autocorrelation descriptors using atomic weight		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#autoCorrelationMass ?	Moreau-Broto Autocorrelation (mass) descriptors			The Moreau-Broto autocorrelation descriptors using atomic weight		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#fm ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mde ?	Molecular Distance Edge	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#LIU98 ?	10.1021/ci970109z	Evaluate molecular distance edge descriptors for C, N and O		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mde ?	Molecular Distance Edge	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#LIU98 ?	10.1021/ci970109z	Evaluate molecular distance edge descriptors for C, N and O		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#lengthOverBreadth ?	Length Over Breadth			Calculates the ratio of length to breadth.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#lengthOverBreadth ?	Length Over Breadth			Calculates the ratio of length to breadth.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chiChain ?	Chi Chain Indices			Evaluates the Kier & Hall Chi chain indices of orders 3,4,5 and 6		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chiChain ?	Chi Chain Indices			Evaluates the Kier & Hall Chi chain indices of orders 3,4,5 and 6		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chiPath ?	Chi Path Indices			Evaluates the Kier & Hall Chi path indices of orders 0,1,2,3,4,5,6 and 7		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chiPath ?	Chi Path Indices			Evaluates the Kier & Hall Chi path indices of orders 0,1,2,3,4,5,6 and 7		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chiCluster ?	Chi Cluster Indices			Evaluates the Kier & Hall Chi cluster indices of orders 3,4,5,6 and 7		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chiCluster ?	Chi Cluster Indices			Evaluates the Kier & Hall Chi cluster indices of orders 3,4,5,6 and 7		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chiPathCluster ?	Chi Path-Cluster Indices			Evaluates the Kier & Hall Chi path cluster indices of orders 4,5 and 6		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#chiPathCluster ?	Chi Path-Cluster Indices			Evaluates the Kier & Hall Chi path cluster indices of orders 4,5 and 6		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#carbonTypes ?	Carbon Types			Characterizes the carbon connectivity in terms of hybridization		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#carbonTypes ?	Carbon Types			Characterizes the carbon connectivity in terms of hybridization		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#kierHallSmarts ?	Kier & Hall SMARTS			Counts the number of occurrences of the E-state fragments		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#kierHallSmarts ?	Kier & Hall SMARTS			Counts the number of occurrences of the E-state fragments		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#rguha ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#ip ?	Ionization Potential			Descriptor that evaluates the ionization potential.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mr ?
http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#ip ?	Ionization Potential			Descriptor that evaluates the ionization potential.		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#mr ?
http://ambit.sourceforge.net/descriptors.owl#SpherosityDescriptor ?	Spherosity	http://ambit.sourceforge.net/descriptors.owl#TOD00 ?		Spherosity	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#has3DCoordinates ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#SpherosityDescriptor ?	Spherosity	http://ambit.sourceforge.net/descriptors.owl#TOD00 ?		Spherosity (ref. Todescini 2000)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#has3DCoordinates ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#PlanarityDescriptor ?	Planarity	http://ambit.sourceforge.net/descriptors.owl#TOD00 ?		Spherosity (ref. Todescini 2000)	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#has3DCoordinates ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#PlanarityDescriptor ?	Planarity	http://ambit.sourceforge.net/descriptors.owl#TOD00 ?		Planarity	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#has3DCoordinates ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#FunctionalGroups ?	Functional groups			Functional groups presence, as per http://ambit.acad.bg/downloads/AmbitDb/html/funcgroups.xml	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#MoleculeSize ?	Molecule size			3D dimensions of the molecule	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#has3DCoordinates ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#CrossectionalDiameter ?	Crossectional diameter			Cross sectional diameter of the molecule	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#has3DCoordinates ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#MolecularWeight ?	Molecular Weight			Molecular weight		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#constitutionalDescriptor ?	http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#AtomEnvironment ?	AtomEnvironment			implements atom environment fingerprints, according to <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="XING2002"></bibtex:cite> and <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="JAW2007"></bibtex:cite>	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#topologicalDescriptor ?	http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#pkaSMARTS ?	pKa	http://ambit.sourceforge.net/descriptors.owl#LEE2008 ?	10.1016/j.fct.2003.08.006	pKa estimation , as described in <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="LEE2008"></bibtex:cite>	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hybridDescriptor ?	http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#pkaSMARTS ?	pKa	http://ambit.sourceforge.net/descriptors.owl#LEE2008 ?	10.1021/ci8001815	pKa estimation , as described in <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="LEE2008"></bibtex:cite>	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hybridDescriptor ?	http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#pkaSMARTS ?	pKa	http://ambit.sourceforge.net/descriptors.owl#LEE2008 ?	10.1016/j.fct.2003.08.006	A decision tree for prediction of pKa for small molecules based on a set of SMARTS strings	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hybridDescriptor ?	http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#pkaSMARTS ?	pKa	http://ambit.sourceforge.net/descriptors.owl#LEE2008 ?	10.1021/ci8001815	A decision tree for prediction of pKa for small molecules based on a set of SMARTS strings	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#hybridDescriptor ?	http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#MOPAC ?	OpenMopac			MOPAC wrapper for electronic descriptor calculation	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#has3DCoordinates ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#MOPAC ?	OpenMopac			MOPAC wrapper for electronic descriptor calculation	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#has3DCoordinates ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#geometricalDescriptor ?	http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreecramer ?	toxtreecramer	http://ambit.sourceforge.net/descriptors.owl#CRA78 ?	10.1016/S0015-6264(76)80522-6	implements atom environment fingerprints, according to <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="CRA1978"></bibtex:cite> and <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="PAT2008"></bibtex:cite>	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreecramer ?	toxtreecramer	http://ambit.sourceforge.net/descriptors.owl#PAT08 ?	10.1080/10629360802083871	implements atom environment fingerprints, according to <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="CRA1978"></bibtex:cite> and <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="PAT2008"></bibtex:cite>	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreecramer ?	toxtreecramer	http://ambit.sourceforge.net/descriptors.owl#TT250MANUAL ?		implements atom environment fingerprints, according to <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="CRA1978"></bibtex:cite> and <bibtex:cite xmlns:bibtex="http://bibtexml.sf.net/" ref="PAT2008"></bibtex:cite>	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreecramer ?	toxtreecramer	http://ambit.sourceforge.net/descriptors.owl#CRA78 ?	10.1016/S0015-6264(76)80522-6	Cramer rules. Assigns compounds to Class I (substances are simple chemical structures with efficient modes of metabolism suggesting a low order of oral toxicity); Class II are assigned to intermediate substances; Class III substances are those that permit no strong initial presumption of safety, or may even suggest significant toxicity or have reactive functional groups.	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreecramer ?	toxtreecramer	http://ambit.sourceforge.net/descriptors.owl#PAT08 ?	10.1080/10629360802083871	Cramer rules. Assigns compounds to Class I (substances are simple chemical structures with efficient modes of metabolism suggesting a low order of oral toxicity); Class II are assigned to intermediate substances; Class III substances are those that permit no strong initial presumption of safety, or may even suggest significant toxicity or have reactive functional groups.	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreecramer ?	toxtreecramer	http://ambit.sourceforge.net/descriptors.owl#TT250MANUAL ?		Cramer rules. Assigns compounds to Class I (substances are simple chemical structures with efficient modes of metabolism suggesting a low order of oral toxicity); Class II are assigned to intermediate substances; Class III substances are those that permit no strong initial presumption of safety, or may even suggest significant toxicity or have reactive functional groups.	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreesmartcyp ?	toxtreesmartcyp	http://ambit.sourceforge.net/descriptors.owl#RYD10-1 ?	10.1021/ml100016x	A Toxtree plugin, predicting sites of metabolism and metabolites.	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreesmartcyp ?	toxtreesmartcyp	http://ambit.sourceforge.net/descriptors.owl#RYD10-2 ?	10.1093/bioinformatics/btq584	A Toxtree plugin, predicting sites of metabolism and metabolites.	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreeskin ?	toxtreeskin	http://ambit.sourceforge.net/descriptors.owl#TT250MANUAL ?		Estimates skin corrosion and irritatiion potential by physicochemical property ranges and structural rules	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreeskin ?	toxtreeskin	http://ambit.sourceforge.net/descriptors.owl#GER04 ?	10.1002/qsar.200430880	Estimates skin corrosion and irritatiion potential by physicochemical property ranges and structural rules	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreeskin ?	toxtreeskin	http://ambit.sourceforge.net/descriptors.owl#GER05 ?	10.1002/qsar.200430905	Estimates skin corrosion and irritatiion potential by physicochemical property ranges and structural rules	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreeskin ?	toxtreeskin	http://ambit.sourceforge.net/descriptors.owl#GER05 ?	10.1002/qsar.200430905	Estimates skin corrosion and irritatiion potential by physicochemical property ranges and structural rules	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreeskin ?	toxtreeskin	http://ambit.sourceforge.net/descriptors.owl#WAL05 ?	10.1002/qsar.200430906	Estimates skin corrosion and irritatiion potential by physicochemical property ranges and structural rules	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreednabinding ?	toxtreednabinding	http://ambit.sourceforge.net/descriptors.owl#EMC08 ?	10.1080/10629360802348985	Protein binding	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreecramer2 ?	toxtreecramer2	http://ambit.sourceforge.net/descriptors.owl#CRA78 ?	10.1016/S0015-6264(76)80522-6	Cramer rules with extensions: This plug-in is a copy of the original plug-in, plus minor extensions. Like the Cramer plug-in, this plug-in works by assigning compounds to Class I, II, or III, according to the rules from Cramer, and some extra ones. Several compounds were classified by Munro in 1996 as Class I or Class II compounds according to the Cramer rules, even though Munro reported low NOEL values upon oral administration (indicating relatively high toxicity). To overcome such misclassifications,five rules have been introduced to capture the possible toxicity of these compounds.	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreecramer2 ?	toxtreecramer2	http://ambit.sourceforge.net/descriptors.owl#PAT08 ?	10.1080/10629360802083871	Cramer rules with extensions: This plug-in is a copy of the original plug-in, plus minor extensions. Like the Cramer plug-in, this plug-in works by assigning compounds to Class I, II, or III, according to the rules from Cramer, and some extra ones. Several compounds were classified by Munro in 1996 as Class I or Class II compounds according to the Cramer rules, even though Munro reported low NOEL values upon oral administration (indicating relatively high toxicity). To overcome such misclassifications,five rules have been introduced to capture the possible toxicity of these compounds.	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreecramer2 ?	toxtreecramer2	http://ambit.sourceforge.net/descriptors.owl#MUN96 ?	10.1016/S0278-6915(96)00049-X	Cramer rules with extensions: This plug-in is a copy of the original plug-in, plus minor extensions. Like the Cramer plug-in, this plug-in works by assigning compounds to Class I, II, or III, according to the rules from Cramer, and some extra ones. Several compounds were classified by Munro in 1996 as Class I or Class II compounds according to the Cramer rules, even though Munro reported low NOEL values upon oral administration (indicating relatively high toxicity). To overcome such misclassifications,five rules have been introduced to capture the possible toxicity of these compounds.	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreecramer2 ?	toxtreecramer2	http://ambit.sourceforge.net/descriptors.owl#CRA2MANUAL ?		Cramer rules with extensions: This plug-in is a copy of the original plug-in, plus minor extensions. Like the Cramer plug-in, this plug-in works by assigning compounds to Class I, II, or III, according to the rules from Cramer, and some extra ones. Several compounds were classified by Munro in 1996 as Class I or Class II compounds according to the Cramer rules, even though Munro reported low NOEL values upon oral administration (indicating relatively high toxicity). To overcome such misclassifications,five rules have been introduced to capture the possible toxicity of these compounds.	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreeverhaar2 ?	toxtreeverhaar2	http://ambit.sourceforge.net/descriptors.owl#TT250MANUAL ?		Verhaar scheme for predicting toxicity mode of action (modified). Reuses rules from Verhaar scheme module, and is partially updated, according to recommendations in [Enoch 2008]	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreeverhaar2 ?	toxtreeverhaar2	http://ambit.sourceforge.net/descriptors.owl#VER92 ?	10.1016/0045-6535(92)90280-5	Verhaar scheme for predicting toxicity mode of action (modified). Reuses rules from Verhaar scheme module, and is partially updated, according to recommendations in [Enoch 2008]	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreeverhaar2 ?	toxtreeverhaar2	http://ambit.sourceforge.net/descriptors.owl#VER00 ?	10.1016/S0045-6535(99)00317-3	Verhaar scheme for predicting toxicity mode of action (modified). Reuses rules from Verhaar scheme module, and is partially updated, according to recommendations in [Enoch 2008]	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreeverhaar2 ?	toxtreeverhaar2	http://ambit.sourceforge.net/descriptors.owl#ENO08 ?	10.1016/j.chemosphere.2008.06.052	Verhaar scheme for predicting toxicity mode of action (modified). Reuses rules from Verhaar scheme module, and is partially updated, according to recommendations in [Enoch 2008]	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreestart ?	toxtreestart	http://ambit.sourceforge.net/descriptors.owl#START08 ?		START (Structural Alerts for Reactivity in Toxtree) biodegradation and persistence plug-in is based on a compilation of structural alerts for environmental persistence and biodegradability. These structural alerts are molecular functional groups or substructures that are known to be linked to the environmental persistence or biodegradability of chemicals. The rulebase utilizes the structural alerts in logical decision trees. If one or more the structural alerts embedded in the molecular structure of the chemical are recognized, the system flags the potential persistence or biodegradability of the chemical.	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreeeye ?	toxtreeeye	http://ambit.sourceforge.net/descriptors.owl#TT250MANUAL ?		Estimates eye irritation and corrosion potential by physicochemical property ranges and structural rules.	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreeeye ?	toxtreeeye	http://ambit.sourceforge.net/descriptors.owl#GER05 ?	10.1002/qsar.200430905	Estimates eye irritation and corrosion potential by physicochemical property ranges and structural rules.	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreeeye ?	toxtreeeye	http://ambit.sourceforge.net/descriptors.owl#GER05 ?	10.1002/qsar.200430905	Estimates eye irritation and corrosion potential by physicochemical property ranges and structural rules.	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreeverhaar ?	toxtreeverhaar	http://ambit.sourceforge.net/descriptors.owl#TT250MANUAL ?		Verhaar scheme for predicting toxicity mode of action	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreeverhaar ?	toxtreeverhaar	http://ambit.sourceforge.net/descriptors.owl#VER92 ?	10.1016/0045-6535(92)90280-5	Verhaar scheme for predicting toxicity mode of action	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreeverhaar ?	toxtreeverhaar	http://ambit.sourceforge.net/descriptors.owl#VER00 ?	10.1016/S0045-6535(99)00317-3	Verhaar scheme for predicting toxicity mode of action	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreemic ?	toxtreemic	http://ambit.sourceforge.net/descriptors.owl#EUR23844 ?		Structure Alerts for the in vivo micronucleus assay in rodents.	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreekroes ?	toxtreekroes	http://ambit.sourceforge.net/descriptors.owl#KRO04 ?	10.1016/j.fct.2003.08.006	Kroes Threshold of Toxicological Concern decision tree	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreecarc ?	toxtreecarc	http://ambit.sourceforge.net/descriptors.owl#TT250MANUAL ?		A decision tree for estimating carcinogenicity and mutagenicity by discriminant analysis and structural rules, based on published in the document [Benigni 2008]	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreecarc ?	toxtreecarc	http://ambit.sourceforge.net/descriptors.owl#BEN07 ?	10.1002/em.20355	A decision tree for estimating carcinogenicity and mutagenicity by discriminant analysis and structural rules, based on published in the document [Benigni 2008]	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreecarc ?	toxtreecarc	http://ambit.sourceforge.net/descriptors.owl#EUR23241 ?		A decision tree for estimating carcinogenicity and mutagenicity by discriminant analysis and structural rules, based on published in the document [Benigni 2008]	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreecarc ?	toxtreecarc	http://ambit.sourceforge.net/descriptors.owl#BEN09 ?	10.1002/em.20461	A decision tree for estimating carcinogenicity and mutagenicity by discriminant analysis and structural rules, based on published in the document [Benigni 2008]	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreemichaelacc ?	toxtreemichaelacc	http://ambit.sourceforge.net/descriptors.owl#SCH07 ?	10.1021/tx700212u	Identifies Michael Acceptors by Structural Alerts	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#SOME ?	SOME	http://ambit.sourceforge.net/descriptors.owl#ZHE09 ?	10.1093/bioinformatics/btp140	Cytochromes P450 (CYP450)-mediated sites of metabolism (SOM) prediction for the six most important metabolic reactions	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#has3DCoordinates ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#MOPACdescriptors ?	MopacDescriptor	http://ambit.sourceforge.net/descriptors.owl#MOPAC2009 ?		MOPAC ((Molecular Orbital PACkage) wrapper for electronic descriptor calculation.	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#has3DCoordinates ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#dragon ?	dragon	http://ambit.sourceforge.net/descriptors.owl#DRAGONMANUAL ?		Wrapper for Dragon 6 application for the calculation of molecular descriptors	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#toxtreefunc ?	toxtreefunc	http://ambit.sourceforge.net/descriptors.owl#EUR24871 ?		Computational Characterisation of Chemicals and Datasets in Terms of Organic Functional Groups.	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?		http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://ambit.sourceforge.net/descriptors.owl#MOPACoptimisation ?	Mopac	http://ambit.sourceforge.net/descriptors.owl#MOPAC2009 ?		MOPAC ((Molecular Orbital PACkage) wrapper for structure optimisaiton and electronic descriptor calculation.	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#has3DCoordinates ?	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#electronicDescriptor ?	http://ambit.sourceforge.net/descriptors.owl#ngn ?
http://opentox.org/ontology/ist-algorithms.owl#fminer_last ?		http://opentox.org/ontology/ist-algorithms.owl#MAU2010 ?	10.1007/978-3-642-15883-4_23		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?
http://opentox.org/ontology/ist-algorithms.owl#fminer_bbrc ?		http://opentox.org/ontology/ist-algorithms.owl#MAU2011 ?	10.1007/s10994-010-5187-6		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#GraphRepresentation ?

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