OEMedChem Toolkit 1.1.7.2ΒΆ
- Introduction
- Theory
- Examples
- OEMedChem TK Examples
- Bemis Murcko perception
- Apply ChEMBL solubility transformations
- Matched Pair analysis generation of a MMP index
- Matched Pair analysis using a multi-process generation of an MMP index
- Matched Pair analysis using a multi-threaded generation of a MMP index
- Matched Pair analysis and transformations
- Matched Pair analysis and listing of transformations
- Matched Pair analysis and listing of transformations related to probe structures
- MCS Fragment database generation
- MCS Similarity score reporting
- MCS Fragmentation API
- Print OEMedChem version information
- OEMedChem TK Examples
- API
- OEMedChem Classes
- OEBemisMurckoOptions
- OECreateMMPIndexOptions
- OECreateMMPIndexStatus
- OEMCSFragDatabase
- OEMCSFragDatabaseOptions
- OEMCSMolSimScore
- OEMCSSimFuncBase
- OEMCSTanimotoSim
- OEMCSTverskySim
- OEMatchedPairAnalyzer
- OEMatchedPairAnalyzerOptions
- OEMatchedPair
- OEMatchedPairTransform
- OEMatchedPairTransformExtractOptions
- OEMedChem Constants
- OEMedChem Functions
- OEApplyChEMBL18SolubilityTransforms
- OEApplyChEMBL24SolubilityTransforms
- OECalculateComboBelief
- OECalculateETComboBelief
- OEConfigureMatchedPairIndexOptions
- OEConfigureMCSFragDatabaseOptions
- OECreateIDString
- OECreateIDStrings
- OECreateMMPIndexFile
- OEDetermineConnectiveComplexity
- OEDetermineElementalComplexity
- OEDetermineMolecularComplexity
- OEDetermineRingComplexity
- OEDetermineStereoComplexity
- OEDetermineSymmetryComplexity
- OEGetBemisMurcko
- OEGetFuncGroupFragments
- OEGetMatchedMolecularPairs
- OEGetMatchedPairAnalyzerFileType
- OEGetRegionType
- OEGetRegionTypeName
- OEGetRingChainFragments
- OEGetRingLinkerSideChainFragments
- OEGetRingValue
- OEIsMatchedPairAnalyzerFileType
- OEIsMCSFragDatabaseFileType
- OEIsReadableMatchedPairAnalyzer
- OEIsWriteableMatchedPairAnalyzer
- OEMatchedPairApplyTransforms
- OEMatchedPairContextName
- OEMatchedPairContextType
- OEMatchedPairGetTransforms
- OEMatchedPairIndexStatusName
- OEMatchedPairIndexStatusType
- OEMatchedPairOptionsName
- OEMatchedPairOptionsType
- OEMatchedPairProcessorName
- OEMatchedPairProcessorType
- OEMCSFragDatabaseCoreQuery
- OEMedChemGetArch
- OEMedChemGetLicensee
- OEMedChemGetPlatform
- OEMedChemGetRelease
- OEMedChemGetSite
- OEMedChemGetVersion
- OEMedChemIsLicensed
- OEMoleculeToCores
- OENormalMolecularComplexity
- OENormalStereoComplexity
- OEReadMatchedPairAnalyzer
- OEReadMCSFragDatabase
- OEReadMMPIndexMolecules
- OESetupMatchedPairIndexOptions
- OESetupMCSFragDatabaseOptions
- OETotalMolecularComplexity
- OEWriteMatchedPairAnalyzer
- OEWriteMCSFragDatabase
- OEWriteMMPIndexMolecules
- OEMedChem Classes
- Release History
- OEMedChem TK 1.1.7
- OEMedChem TK 1.1.6
- OEMedChem TK 1.1.5
- OEMedChem TK 1.1.4
- OEMedChem TK 1.1.3
- OEMedChem TK 1.1.2
- OEMedChem TK 1.1.1
- OEMedChem TK 1.1.0
- OEMedChem TK 1.0.7
- OEMedChem TK 1.0.6
- OEMedChem TK 1.0.5
- OEMedChem TK 1.0.4
- OEMedChem TK 1.0.3
- OEMedChem TK 1.0.2
- OEMedChem TK 1.0.1
- OEMedChem TK 1.0.0
- OEMedChem TK 0.9.6
- OEMedChem TK 0.9.5
- OEMedChem TK 0.9.4
- OEMedChem TK 0.9.3
- OEMedChem TK 0.9.2
- OEMedChem TK 0.9.1
- OEMedChem TK 0.9.0