Oechem 2.3.0 |top| -

OEChem 2.3.0 is a chemical informatics software toolkit developed by OpenEye Scientific Software

In metabolic stability prediction, software generates thousands of potential phase I/II metabolites. The new ranked substructure search allows rapid rejection of chemically impossible metabolites (e.g., those with unstable tetrahedral enols) before DFT optimization, saving substantial compute. oechem 2.3.0

Researchers working with Cryo-EM structures or large complexes (e.g., SARS-CoV-2 polymerase) can now directly load, edit, and write mmCIF files without losing metadata. OEChem 2