This is a new release of the OpenEye Toolkits with versions of the following libraries:
OEChem has undergone a major revision change from 1.7.7 to 1.8.0 to indicate that bugs were fixed in isomeric canonical smiles generation that could potentially change the smiles generated. A benchmark over 24.0 million unique compounds only yielded changes in 42 of the compound’s isomeric canonical smiles. These 42 compounds fall into the following classes:
See the OEChem release notes for a more specific description of these minor algorithmic changes.