lavoisiermod

Results 2 issues of lavoisiermod

``` from rdkit import Chem from chembl_structure_pipeline import standardizer # a molecule with enhanced stereochemistry m3bis = Chem.MolFromSmiles('Cl.O[C@@H]1CC[C@H](Cl)C[C@@H]1O |a:5,&1:2,8|') m3bis ``` ![image](https://user-images.githubusercontent.com/77072007/219853085-c50a7cdb-6a8b-48a7-8d74-b3d37320348c.png) (the carbon bearing Cl has absolute configuration, the...

**Describe the bug** An sp3 stereogenic center that has 's' CIP configuration switches to 'S' when a part of the molecule that is unrelated (in terms of _local_ symmetry) changes....

bug
stale