BCUT descriptors
type: DescriptorCalculation
instance of: BCUT
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Saturation Checker verifier
type: DescriptorCalculation
instance of: saturationcheckerverifier
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

XLogP
type: DescriptorCalculation
instance of: xlogP
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

FMF descriptor characterizing complexity of a molecule.
type: DescriptorCalculation
instance of: fmf
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

CrossSectionalDiameter
type: DescriptorCalculation
instance of: CrossSectionalDiameter
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Substructure Fingerprints
type: DescriptorCalculation
instance of: org.openscience.cdk.fingerprint.SubstructureFingerprinter
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Number of pathways and assays in OpenPhacts
type: DescriptorCalculation
instance of: OPSCOUNT
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Largest Pi system
type: DescriptorCalculation
instance of: largestPiSystem
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Vertex adjacency information (magnitude)
type: DescriptorCalculation
instance of: vAdjMa
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

WHIM descriptors
type: DescriptorCalculation
instance of: WHIM
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Number of atoms
type: DescriptorCalculation
instance of: atomCount
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Number of rotatable bonds
type: DescriptorCalculation
instance of: rotatableBondsCount
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

DRAGON6 descriptors
type: DescriptorCalculation
instance of: dragon
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Chi path descriptor
type: DescriptorCalculation
instance of: chiPath
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Volume descriptor.
type: DescriptorCalculation
instance of: vabc
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Moment of inertia and radius of gyration
type: DescriptorCalculation
instance of: momentOfInertia
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

AtomTypes verifier
type: DescriptorCalculation
instance of: atomtypeverifier
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Number of aromatic bonds
type: DescriptorCalculation
instance of: aromaticBondsCount
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Reports the fraction of sp3 carbons to sp2 carbons
type: DescriptorCalculation
instance of: hybratio
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

SizeDiameter
type: DescriptorCalculation
instance of: Size
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

EState Fingerprints
type: DescriptorCalculation
instance of: org.openscience.cdk.fingerprint.EStateFingerprinter
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

MaximumDiameter
type: DescriptorCalculation
instance of: MaximumDiameter
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Difference between atomic polarizabilities of all bonded atoms
type: DescriptorCalculation
instance of: bpol
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Topological descriptor characterizing the carbon connectivity
type: DescriptorCalculation
instance of: carbonTypes
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Fragment complexity
type: DescriptorCalculation
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Wiener Path number and Wiener Polarity Number
type: DescriptorCalculation
instance of: wienerNumbers
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

PubChem Fingerprints
type: DescriptorCalculation
instance of: org.openscience.cdk.fingerprint.PubChemFingerprinter
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Largest chain
type: DescriptorCalculation
instance of: largestChain
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

The graph diameter D is defined as the largest vertex eccentricity in the graph
type: DescriptorCalculation
instance of: petitjeanNumber
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

The number of acidic groups.
type: DescriptorCalculation
instance of: basicGroupCount
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Chi chain descriptor
type: DescriptorCalculation
instance of: chiChain
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

The number of basic groups.
type: DescriptorCalculation
instance of: acidicGroupCount
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Evaluates length over breadth descriptors
type: DescriptorCalculation
instance of: lengthOverBreadth
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Prediction of logP based on the number of carbon and hetero atoms
type: DescriptorCalculation
instance of: mannholdLogP
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Kier and Hall kappa molecular shape indices
type: DescriptorCalculation
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Hydrogen Bond acceptors
type: DescriptorCalculation
instance of: hBondacceptors
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

InChI 1.03
type: DescriptorCalculation
instance of: inchi
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

ZagrebIndex
type: DescriptorCalculation
instance of: zagrebIndex
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

MolecularWeight
type: DescriptorCalculation
instance of: MolecularWeight
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Weighted path descriptors (Randic) characterizing molecular branching.
type: DescriptorCalculation
instance of: weightedPath
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

MOPAC descriptors (Energy, EHOMO, ELUMO,etc.)
type: DescriptorCalculation
instance of: MOPACdescriptors
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

ALogP
type: DescriptorCalculation
instance of: ALOGP
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Molecular Distance Edge
type: DescriptorCalculation
instance of: mde
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Number of each amino acid in an atom container
type: DescriptorCalculation
instance of: aminoAcidsCount
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Hybridization Fingerprints
type: DescriptorCalculation
instance of: org.openscience.cdk.fingerprint.HybridizationFingerprinter
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

A topological descriptor combining distance and adjacency information
type: DescriptorCalculation
instance of: eccentricConnectivityIndex
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Extended Fingerprints
type: DescriptorCalculation
instance of: org.openscience.cdk.fingerprint.ExtendedFingerprinter
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Kekulization verifier
type: DescriptorCalculation
instance of: kekulizationverifier
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Number of bonds
type: DescriptorCalculation
instance of: bondCount
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

CPSA descriptor
type: DescriptorCalculation
instance of: CPSA
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Characterizing the mass distribution of the molecule
type: DescriptorCalculation
instance of: gravitationalIndex
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Number of aromatic atoms
type: DescriptorCalculation
instance of: aromaticAtomsCount
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Hydrogen Bond donors
type: DescriptorCalculation
instance of: hBondDonors
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

TPSA descriptor
type: DescriptorCalculation
instance of: tpsa
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

ATS autocorrelation descriptor polarizability
type: DescriptorCalculation
instance of: autoCorrelationPolarizability
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Chi cluster descriptor
type: DescriptorCalculation
instance of: chiCluster
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Petitjean shape indices
type: DescriptorCalculation
instance of: petitjeanShapeIndex
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

ATS autocorrelation descriptor mass
type: DescriptorCalculation
instance of: autoCorrelationMass
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Number of atoms in the longest aliphatic chain
type: DescriptorCalculation
instance of: longestAliphaticChain
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

A fragment count descriptor that uses e-state fragments
type: DescriptorCalculation
instance of: kierHallSmarts
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Atomic polarizabilities
type: DescriptorCalculation
instance of: apol
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Lipinski Rule of Five
type: DescriptorCalculation
instance of: lipinskifailures
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

MACCS Fingerprints
type: DescriptorCalculation
instance of: org.openscience.cdk.fingerprint.MACCSFingerprinter
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Site Of Metabolism Estimator (SOME) Bioinformatics (2009) 25(10):1251-1258.
type: DescriptorCalculation
instance of: SOME
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

Chi path cluster descriptor
type: DescriptorCalculation
instance of: chiPathCluster
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm

ATS autocorrelation descriptor charge
type: DescriptorCalculation
instance of: autoCorrelationCharge
publisher: https://data.enanomapper.net/algorithm/
format: WEKA
date: Mon Aug 24 12:01:04 EEST 2026
type: Algorithm