Open tdudgeon opened 4 years ago
Standardization in RDKit still does not seem to work fully in 2020.03.1. See: https://github.com/rdkit/rdkit/issues/3053 https://github.com/rdkit/rdkit/issues/3054
This commit fixes the standardizer issues and standardization is now happening. https://github.com/InformaticsMatters/fragnet/commit/9622c9d247025e922e8d46e50abc54e3e7e261ad
Query molecules need the same standardisation that occurs when building the fragment network.