Source: 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

Input Validation

This skill accepts: compound names (common or IUPAC), SMILES strings, or InChI identifiers. Batch input via CSV or plain text list is also supported.