Index

A | C | D | E | F | G | H | L | M | N | O | P | S | T

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A

AddFP OEGraphSim::OEFPDatabase

C

canonical isomeric SMILES canonical SMILES ClearCutoff OEGraphSim::OEFPDatabase Constructors OEGraphSim::OEFPDatabase OEGraphSim::OEFPTypeBase OEGraphSim::OEFingerPrint OEGraphSim::OESimFuncBase OEGraphSim::OESimScore OEGraphSim::OETanimotoSim OEGraphSim::OETverskySim

Cosine similarity measure CreateCopy OEGraphSim::OESimFuncBase OEGraphSim::OETanimotoSim OEGraphSim::OETverskySim

D

Dice similarity measure

E

Euclidean similarity measure Example Code FP2OEB.py FPAtomTyping.py FPData.py FPPathLength.py FPTanimoto.py FPType.py MemSimSearch.py PathFPType.py SimCalcFromFile.py

F

fingerprint FP2OEB.py Example Code FPAtomTyping.py Example Code FPData.py Example Code

FPPathLength.py Example Code FPTanimoto.py Example Code FPType.py Example Code

G

GetAlpha OEGraphSim::OETverskySim GetBeta OEGraphSim::OETverskySim GetCutoff OEGraphSim::OEFPDatabase GetFingerPrints OEGraphSim::OEFPDatabase GetFPType OEGraphSim::OEFPTypeBase GetFPTypeBase OEGraphSim::OEFPDatabase OEGraphSim::OEFingerPrint GetFPTypeString OEGraphSim::OEFPTypeBase

GetIdx OEGraphSim::OESimScore GetScore OEGraphSim::OESimScore GetScores OEGraphSim::OEFPDatabase GetSimTypeString OEGraphSim::OESimFuncBase OEGraphSim::OETanimotoSim OEGraphSim::OETverskySim GetSortedScores OEGraphSim::OEFPDatabase

H

HasCutoff OEGraphSim::OEFPDatabase

L

LINGO

M

Manhattan similarity measure MemSimSearch.py Example Code

N

NumFingerPrints OEGraphSim::OEFPDatabase

O

OEGraphSim::OECosine OEGraphSim::OEDice OEGraphSim::OEEuclid OEGraphSim::OEFingerPrint Constructors GetFPTypeBase operator bool operator= OEGraphSim::OEFPAtomType OEGraphSim::OEFPAtomType::Aromaticity OEGraphSim::OEFPAtomType::AtomicNumber OEGraphSim::OEFPAtomType::Chiral OEGraphSim::OEFPAtomType::DefaultAtom OEGraphSim::OEFPAtomType::EqAromatic OEGraphSim::OEFPAtomType::EqHalogen OEGraphSim::OEFPAtomType::FormalCharge OEGraphSim::OEFPAtomType::HvyDegree OEGraphSim::OEFPAtomType::Hybridization OEGraphSim::OEFPAtomType::InRing OEGraphSim::OEFPBondType OEGraphSim::OEFPBondType::BondOrder OEGraphSim::OEFPBondType::Chiral OEGraphSim::OEFPBondType::DefaultBond OEGraphSim::OEFPBondType::InRing OEGraphSim::OEFPDatabase AddFP ClearCutoff Constructors GetCutoff GetFPTypeBase GetFingerPrints GetScores GetSortedScores HasCutoff NumFingerPrints SetCutoff SetSimFunc OEGraphSim::OEFPType OEGraphSim::OEFPType::Lingo OEGraphSim::OEFPType::MACCS166 OEGraphSim::OEFPType::Path OEGraphSim::OEFPTypeBase Constructors GetFPType GetFPTypeString OEGraphSim::OEGetFPAtomType OEGraphSim::OEGetFPBondType OEGraphSim::OEGraphSimGetArch OEGraphSim::OEGraphSimGetLicensee OEGraphSim::OEGraphSimGetPlatform

OEGraphSim::OEGraphSimGetRelease OEGraphSim::OEGraphSimGetSite OEGraphSim::OEGraphSimGetVersion OEGraphSim::OEGraphSimIsLicensed OEGraphSim::OEIsFPType OEGraphSim::OEIsSameFPType OEGraphSim::OEMakeFP OEGraphSim::OEMakeLingoFP OEGraphSim::OEMakeMACCS166FP OEGraphSim::OEMakePathFP OEGraphSim::OEManhattan OEGraphSim::OESimFuncBase Constructors CreateCopy GetSimTypeString operator() OEGraphSim::OESimMeasure OEGraphSim::OESimMeasure::Cosine OEGraphSim::OESimMeasure::Dice OEGraphSim::OESimMeasure::Euclid OEGraphSim::OESimMeasure::Manhattan OEGraphSim::OESimMeasure::Tanimoto OEGraphSim::OESimMeasure::Tversky OEGraphSim::OESimScore Constructors GetIdx GetScore OEGraphSim::OETanimoto OEGraphSim::OETanimotoSim Constructors CreateCopy GetSimTypeString operator() OEGraphSim::OETversky OEGraphSim::OETverskySim Constructors CreateCopy GetAlpha GetBeta GetSimTypeString operator() operator bool OEGraphSim::OEFingerPrint operator() OEGraphSim::OESimFuncBase OEGraphSim::OETanimotoSim OEGraphSim::OETverskySim operator= OEGraphSim::OEFingerPrint

P

PathFPType.py Example Code

S

SetCutoff OEGraphSim::OEFPDatabase SetSimFunc OEGraphSim::OEFPDatabase SimCalcFromFile.py Example Code similarity measure Cosine Dice Euclidean Manhattan Tanimoto Tversky

SMARTS SMILES structural key

T

Tanimoto similarity measure Tversky similarity measure