OEMedChem Toolkit 1.1.7.2

• Introduction
• Theory
  • Molecule Fragmentation
  • Matched Molecule Pair Analysis
    • Introductory Usage of Matched Molecular Pair Analysis
• 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
• API
  • OEMedChem Classes
    • OEBemisMurckoOptions
    • OECreateMMPIndexOptions
    • OECreateMMPIndexStatus
    • OEMCSFragDatabase
    • OEMCSFragDatabaseOptions
    • OEMCSMolSimScore
    • OEMCSSimFuncBase
    • OEMCSTanimotoSim
    • OEMCSTverskySim
    • OEMatchedPairAnalyzer
    • OEMatchedPairAnalyzerOptions
    • OEMatchedPair
    • OEMatchedPairTransform
    • OEMatchedPairTransformExtractOptions
  • OEMedChem Constants
    • OEMCSFragDatabaseSetup
    • OEMCSScoreType
    • OEMatchedPairAnalyzerFileType
    • OEMatchedPairContext
    • OEMatchedPairIndexSetup
    • OEMatchedPairIndexStatus
    • OEMatchedPairOptions
    • OEMatchedPairProcessor
    • OEMatchedPairTransformExtractMode
    • OERegionType
  • 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
• Release History
  • OEMedChem TK 1.1.7
  • OEMedChem TK 1.1.6
  • OEMedChem TK 1.1.5
  • OEMedChem TK 1.1.4
    • Minor bug fixes
  • OEMedChem TK 1.1.3
    • New features
    • Documentation changes
  • OEMedChem TK 1.1.2
    • Minor bug fixes
  • OEMedChem TK 1.1.1
    • New features
    • Documentation changes
  • OEMedChem TK 1.1.0
    • Minor bug fixes
  • OEMedChem TK 1.0.7
    • New features
    • New features (Preliminary API)
    • API changes
    • Minor bug fixes
    • Python-specific changes
    • Documentation changes
  • OEMedChem TK 1.0.6
    • New features
    • Minor bug fixes
  • OEMedChem TK 1.0.5
    • New features
    • Minor bug fixes
    • Documentation changes
  • OEMedChem TK 1.0.4
    • New features
    • Preliminary Fragmentation API
    • Minor bug fixes
    • Python-specific changes
    • Java-specific changes
    • C#-specific changes
    • Documentation changes
  • OEMedChem TK 1.0.3
    • New features
    • Documentation changes
  • OEMedChem TK 1.0.2
    • Minor bug fixes
  • OEMedChem TK 1.0.1
    • Minor bug fixes
  • OEMedChem TK 1.0.0
    • Licensing changes
    • OEMedChem functionalities
    • Matched molecular pair analysis
    • Fragmentation and perception capabilities
    • Belief theory
    • Similarity
    • Complexity measures
    • Minor bug fixes
    • Documentation changes
  • OEMedChem TK 0.9.6
    • Beta-API changes
    • New features
    • Minor bug fixes
    • Documentation fixes
  • OEMedChem TK 0.9.5
    • New features
    • Beta-API changes
    • Major bug fixes
  • OEMedChem TK 0.9.4
    • Beta-API changes
    • New features
    • Major bug fixes
    • Documentation fixes
  • OEMedChem TK 0.9.3
    • New features
    • Known bugs
    • Documentation fixes
  • OEMedChem TK 0.9.2
    • Minor bug fixes
  • OEMedChem TK 0.9.1
    • New features
  • OEMedChem TK 0.9.0
    • New features