https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Hydrogen Bond acceptors
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Site Of Metabolism Estimator (SOME) Bioinformatics (2009) 25(10):1251-1258.
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Volume descriptor.
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Petitjean shape indices
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
A topological descriptor combining distance and adjacency information
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
The graph diameter D is defined as the largest vertex eccentricity in the graph
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Chi path cluster descriptor
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Extended Fingerprints
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
InChI 1.03
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
ATS autocorrelation descriptor charge
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Fragment complexity
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
ATS autocorrelation descriptor mass
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Chi chain descriptor
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
TPSA descriptor
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
MolecularWeight
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
AtomTypes verifier
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Evaluates length over breadth descriptors
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Wiener Path number and Wiener Polarity Number
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Number of rotatable bonds
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
XLogP
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Weighted path descriptors (Randic) characterizing molecular branching.
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
BCUT descriptors
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Chi cluster descriptor
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
EState Fingerprints
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Hydrogen Bond donors
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
PubChem Fingerprints
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
The number of acidic groups.
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Chi path descriptor
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Largest Pi system
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Number of atoms in the longest aliphatic chain
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Reports the fraction of sp3 carbons to sp2 carbons
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
The number of basic groups.
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
MaximumDiameter
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
A fragment count descriptor that uses e-state fragments
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Hybridization Fingerprints
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
ALogP
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
CrossSectionalDiameter
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Saturation Checker verifier
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Characterizing the mass distribution of the molecule
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
MACCS Fingerprints
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Molecular Distance Edge
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Difference between atomic polarizabilities of all bonded atoms
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Number of atoms
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Lipinski Rule of Five
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
FMF descriptor characterizing complexity of a molecule.
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
SizeDiameter
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Substructure Fingerprints
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Kekulization verifier
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Vertex adjacency information (magnitude)
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Number of each amino acid in an atom container
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Moment of inertia and radius of gyration
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
DRAGON6 descriptors
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
WHIM descriptors
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Kier and Hall kappa molecular shape indices
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Number of bonds
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Largest chain
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Number of aromatic bonds
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
MOPAC descriptors (Energy, EHOMO, ELUMO,etc.)
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
CPSA descriptor
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Topological descriptor characterizing the carbon connectivity
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Number of pathways and assays in OpenPhacts
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
ATS autocorrelation descriptor polarizability
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
ZagrebIndex
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Atomic polarizabilities
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Prediction of logP based on the number of carbon and hetero atoms
https://apps.ideaconsult.net/data/algorithm/
WEKA
Tue Mar 19 14:57:19 EET 2024
Number of aromatic atoms