gc_derivatization
github.com/recetox/gc-meox-tmsIn silico derivatization for GC. The GC-derivatization tool converts carbonyl groups to C═N-OCH3 (MeOX) and transforms acidic protons into -Si(CH3)3 (TMS). Key functionalities include checking for specific groups, removing derivatization groups, and adding derivatization groups to molecules.
Sourced from
- bio.tools — gc_derivatization
- GitHub — github.com/recetox/gc-meox-tms
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