Molecular Representations — SMILES InChI Fingerprints Training | Encoding Molecules for QSAR & Screening

Learn how molecules are encoded for computation: atoms and bonds as graphs, SMILES and InChI notations, and fingerprint schemes (MACCS, ECFP, path-based) that power QSAR, similarity search and virtual screening workflows.

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Molecular Representations — SMILES, InChI & Fingerprints — Hands-on

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