gc-meox-tms
In-silico MeOX/TMS derivatization of chemical compounds.
In-silico MeOX/TMS derivatization of chemical compounds.
To install this package, run one of the following:
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.
Summary
In-silico MeOX/TMS derivatization of chemical compounds.
Last Updated
Dec 14, 2022 at 20:18
License
MIT
Total Downloads
3.5K
Supported Platforms
GitHub Repository
https://github.com/RECETOX/gc-meox-tms