Chemfeat Documentation
- Synopsis
- Installation
- Usage
- Command-Line Usage
- Feature Sets
- ecfp
- padel_ALOGP
- padel_AP2DFP
- padel_AP2DFPC
- padel_APol
- padel_AcidicGroupCount
- padel_AromaticAtomsCount
- padel_AromaticBondsCount
- padel_AtomCount
- padel_Autocorrelation
- padel_Autocorrelation3D
- padel_BCUT
- padel_BPol
- padel_BaryszMatrix
- padel_BasicGroupCount
- padel_BondCount
- padel_BurdenModifiedEigenvalues
- padel_CPSA
- padel_CarbonTypes
- padel_ChiChain
- padel_ChiCluster
- padel_ChiPath
- padel_ChiPathCluster
- padel_Constitutional
- padel_Crippen
- padel_DetourMatrix
- padel_EStateFP
- padel_EccentricConnectivityIndex
- padel_ElectrotopologicalStateAtomType
- padel_ExtFP
- padel_ExtendedTopochemicalAtom
- padel_FMF
- padel_FP
- padel_FragmentComplexity
- padel_GraphFP
- padel_GravitationalIndex
- padel_HBondAcceptorCount
- padel_HBondDonorCount
- padel_HybridizationRatio
- padel_InformationContent
- padel_KRFP
- padel_KRFPC
- padel_KappaShapeIndices
- padel_LargestChain
- padel_LargestPiSystem
- padel_LengthOverBreadth
- padel_LongestAliphaticChain
- padel_MACCSFP
- padel_MDE
- padel_MLFER
- padel_MannholdLogP
- padel_McGowanVolume
- padel_MomentOfInertia
- padel_PathCount
- padel_PetitjeanNumber
- padel_PetitjeanShapeIndex
- padel_PubchemFP
- padel_RDF
- padel_RingCount
- padel_RotatableBondsCount
- padel_RuleOfFive
- padel_SubFP
- padel_SubFPC
- padel_TPSA
- padel_Topological
- padel_TopologicalCharge
- padel_TopologicalDistanceMatrix
- padel_VABC
- padel_VAdjMa
- padel_WHIM
- padel_WalkCount
- padel_Weight
- padel_WeightedPath
- padel_WienerNumbers
- padel_XLogP
- padel_ZagrebIndex
- qed
- rdkdesc
- rdkfp
- secfp
- Feature-set Configuration File
- API Documentation