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gc-meox-tms

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In-silico MeOX/TMS derivatization of chemical compounds.

Installation

To install this package, run one of the following:

Conda
$conda install bioconda::gc-meox-tms

Usage Tracking

1.0.1
1.0.0
2 / 8 versions selected
Downloads (Last 6 months): 0

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.

About

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

noarch