computational-chemistryresearch
smiles-to-cas-conversion
Convert SMILES strings to CAS registry numbers using material informatics tools to identify chemical substances.
maintainer
InternScience
Updated 2/27/2026
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129
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7
quick start
Installation and usage
Convert SMILES strings to CAS registry numbers using material informatics tools to identify chemical substances.
Installation
$ install --globalskills.sh
Usage
Once installed, you can use this skill by running the following command in your terminal:
skills use smiles-to-cas-conversion