Releases: nostrumbiodiscovery/analogs_finder
Releases · nostrumbiodiscovery/analogs_finder
v1.2.1
v1.2.0
v1.2.0
- Include postfilter module with:
- Keep molecules that were grown through certain atom
- Avoid molecules that were grown through certain atom
- Avoid duplicate molecules
- Fix minor bugs
v1.1.0
V1.1.0
First official version analogs_finder!!! It contains:
- Initial release with 5 query methods:
- Most n similars
- Tanimoto similarity based
- Substructure matching
- Several substructure matching
- Similarity based with substructure matching