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