https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Number of atoms in the longest aliphatic chain https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 A topological descriptor combining distance and adjacency information https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Moment of inertia and radius of gyration https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Number of rotatable bonds https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Lipinski Rule of Five https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Number of atoms https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Hydrogen Bond donors https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Number of aromatic atoms https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Difference between atomic polarizabilities of all bonded atoms https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Chi chain descriptor https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Molecular Distance Edge https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 BCUT descriptors https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 MACCS Fingerprints https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Saturation Checker verifier https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 MolecularWeight https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Largest chain https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Characterizing the mass distribution of the molecule https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Prediction of logP based on the number of carbon and hetero atoms https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Topological descriptor characterizing the carbon connectivity https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Hydrogen Bond acceptors https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 FMF descriptor characterizing complexity of a molecule. https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 PubChem Fingerprints https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 The graph diameter D is defined as the largest vertex eccentricity in the graph https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Site Of Metabolism Estimator (SOME) Bioinformatics (2009) 25(10):1251-1258. https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Number of pathways and assays in OpenPhacts https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 CPSA descriptor https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 WHIM descriptors https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Atomic polarizabilities https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 ATS autocorrelation descriptor charge https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 ALogP https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Chi path cluster descriptor https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Reports the fraction of sp3 carbons to sp2 carbons https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 The number of basic groups. https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Chi cluster descriptor https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 MaximumDiameter https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Evaluates length over breadth descriptors https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 ZagrebIndex https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Number of bonds https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Vertex adjacency information (magnitude) https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 ATS autocorrelation descriptor mass https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 A fragment count descriptor that uses e-state fragments https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Extended Fingerprints https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 TPSA descriptor https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Substructure Fingerprints https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 The number of acidic groups. https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 CrossSectionalDiameter https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Petitjean shape indices https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Wiener Path number and Wiener Polarity Number https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Largest Pi system https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Number of each amino acid in an atom container https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 SizeDiameter https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 ATS autocorrelation descriptor polarizability https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Fragment complexity https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Kekulization verifier https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 InChI 1.03 https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 EState Fingerprints https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Volume descriptor. https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Weighted path descriptors (Randic) characterizing molecular branching. https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Hybridization Fingerprints https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 XLogP https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 MOPAC descriptors (Energy, EHOMO, ELUMO,etc.) https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 DRAGON6 descriptors https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 AtomTypes verifier https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Kier and Hall kappa molecular shape indices https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Number of aromatic bonds https://apps.ideaconsult.net/nanoreg1/algorithm/ WEKA Fri Mar 29 13:33:05 EET 2024 Chi path descriptor