Translate SMILES strings into IUPAC names using multiple chemical data sources.
npx skills add https://github.com/InternScience/ChemClaw --skill smiles-to-iupac
Please help me install this Agent Skill. Skill: smiles-to-iupac Source: https://github.com/InternScience/ChemClaw/tree/main/skills/smiles-to-iupac Command: npx skills add https://github.com/InternScience/ChemClaw --skill smiles-to-iupac
Converts SMILES strings into standardized IUPAC names by coordinating multiple naming sources, reducing manual effort and human error in chemical naming.
Provide a SMILES string and request its IUPAC name to get an immediate result.
High-intent search queries and answers about installing and using this skill.
You can convert SMILES strings to IUPAC names by querying multiple sources like PubChem and NCI/CADD, with automatic fallbacks to STOUT and RDKit-InChI for robust chemical naming.
Automating chemical naming across databases is done by orchestrating queries to PubChem and NCI/CADD, degrading automatically to local STOUT or RDKit-InChI methods when a primary source is unavailable.
Yes, SMILES to IUPAC conversion handles PubChem lookup failures by applying intelligent fallbacks, automatically degrading to alternative methods like STOUT or RDKit-InChI to retrieve the chemical name.
Yes, you can compute molecular properties with RDKit during IUPAC name generation, as the process enriches the naming workflow by calculating basic molecular properties when the RDKit library is available.
The limitation of using STOUT for SMILES to IUPAC translation is that it acts as a fallback source, meaning it is utilized only when primary external sources like PubChem or NCI/CADD are unavailable.
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