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

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: