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chemical-property-lookup

separate

Compute RDKit-driven molecular properties (MW, logP, TPSA, QED, Lipinski) for a SMILES string to support downstream drug discovery tools.

When to use

• Compute molecular properties
• Validate SMILES input
• Check Lipinski rules
• Report QED and TPSA
• Surface calculation warnings

When not to use

• Infer stereochemistry
• Provide definitive ADMET outcomes

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