OEMedChem TK Examples

The following table lists the currently available OEMedChem TK examples:

Program	Description
OEMedChemInfo	Print library version information
BemisMurckoPerception	Bemis-Murcko region perception
ChEMBLsolubility	Apply solubility transformations found from ChEMBL structures
CreateMMPIndex	Generation of an MMP index from a Matched Pair analysis
CreateMMPIndexThreaded	Multi-threaded generation of an MMP index from a Matched Pair analysis
MatchedPairTransform	Load a Matched Pair index and apply transformations
MatchedPairTransformList	Load a Matched Pair index and list of transformations
MatchedPairTransformProbe	Load a Matched Pair index and list of transformations related to a probe structure
CreateMCSFragDatabase	Generation of an MCS fragment index from an MCS fragmentation analysis
MCSFragDatabase	Load an MCS fragment index and report similarity scores for probe structures
MCSFragOccurrence	Load an MCS fragment index and report occurrence counts for common fragments

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