chents - Chemical entities as R objects (also on github)

Age	Commit message (Collapse)	Author	Files	Lines
2024-06-20	Fix rdkit availability, prefer user/isomeric SMILES	Ranke Johannes	1	-0/+0
	In cases that the user specifies an isomeric SMILES, we want to use that with rdkit. If the user does not specify a SMILES, we prefer the isomeric one from PubChem over the canonical one, where stereochemistry is not defined.