OEMedChem TK ExamplesΒΆ

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
CreateMMPIndexParallel Multi-process 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: