Individual skill
chemical-structure-converter
Convert between IUPAC names, SMILES strings, molecular formulas, and common names for chemical compounds. Supports SMILES validation, batch processing, structure standardization, and cheminformatics database preparation for drug discovery workflows.
scientific-skills/Other/chemical-structure-converter/SKILL.md
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- bioinformatics Repository topic
- computational-biology Repository topic
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- ai Repository topic
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- cancer-genomics Repository topic
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- differential-expression Repository topic
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> **Source**: [https://github.com/aipoch/medical-research-skills](https://github.com/aipoch/medical-research-skills)
# Chemical Structure Converter
Interconvert between different chemical structure representations including IUPAC names, SMILES strings, molecular formulas, and common names. Essential for cheminformatics workflows, database standardization, and compound registration in drug discovery and chemical research.
**Key Capabilities:**
- **Multi-Format Conversion**: IUPAC names, SMILES, InChI, molecular formulas
- **SMILES Validation**: Validate SMILES syntax for structural correctness
- **Batch Processing**: Process multiple compounds for database standardization
- **Identifier Lookup**: Retrieve all available identifiers for known compounds
- **Structure Standardization**: Normalize chemical representations for consistency
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