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computational-chemistryresearch

smiles-to-cas-conversion

Convert SMILES strings to CAS registry numbers using material informatics tools to identify chemical substances.

SpectrAI-Initiative
maintainer
SpectrAI-Initiative
Atualizado 4/2/2026
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371
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quick start

Installation and usage

Convert SMILES strings to CAS registry numbers using material informatics tools to identify chemical substances.

Instalação
$ install --globalskills.sh
Uso

Depois de instalar, você pode usar esta skill executando o seguinte comando no terminal:

skills use smiles-to-cas-conversion