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.
설치 후 터미널에서 다음 명령을 실행하여 이 스킬을 사용할 수 있습니다:
skills use compchem-rxnmapper-synthesis