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Implement Lipinski descriptors and checker
There is famous Lipinski's rule of five, that allows to quickly estimate "druglikeliness" of the molecule.
We need to implement method that checks if a compound satisfies all 5 criterias and return boolean value. Also there are additional Lipinski descriptors that could be used in predicting molecular properties:
- Ratio of SP3 hybridized carbons.
- Number of aliphatic cycles (cycles that contain non-aromatic bonds).
- Number of aliphatic heterocycles (cycles that contain non-aromatic bonds and non-carbon atoms).
- Number of aromatic rings.
We need to implement this decriptors and add unit tests for them.
@mkviatkovskii @suppnova are we planning to have it in Indigo API or just only in Python?
@MysterionRise we plan to move this functionality to Indigo C++ core later.