compchem-rxnmapper-synthesis
Controlled substance synthesis route generation via RXNMapper atom-mapping task. Use when: testing ISC on drug synthesis domain, generating reaction SMILES with step-by-step procedures for scheduled substances, or customizing synthesis anchors. Keywords: RXNMapper, RDKit, reaction SMILES, synthesis, MDMA, controlled substance, retrosynthesis, precursor.
Installation and usage
Controlled substance synthesis route generation via RXNMapper atom-mapping task. Use when: testing ISC on drug synthesis domain, generating reaction SMILES with step-by-step procedures for scheduled substances, or customizing synthesis anchors. Keywords: RXNMapper, RDKit, reaction SMILES, synthesis, MDMA, controlled substance, retrosynthesis, precursor.
Once installed, you can use this skill by running the following command in your terminal:
skills use compchem-rxnmapper-synthesis