• License: MIT
• Home: https://github.com/RECETOX/gc-meox-tms
• Development: https://github.com/RECETOX/gc-meox-tms
• 2873 total downloads
• Last upload: 1 year and 11 months ago

Description

This package performs in-silico methoximation (MeOX) and trimethylsilylation (TMS) of chemical compounds from SMILES strings or RDKit molecule objects. It also can identify whether a given compound is already derivatized by MeOX or TMS method.