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Foundations of Cheminformatics & Molecular Representations (SMILES/InChI) | Hands-on with RDKit & Open Babel

Master SMILES, InChI & InChIKey, stereochemistry, aromaticity models, canonicalization, and dataset standardization using RDKit/Open Babel. Includes file formats (SDF/MOL/MOL2), sanitization & curation mini-capstone.

NTHRYS >> Services >> Academic Services >> Training Programs >> Bioinformatics Training >> Cheminformatics, QSAR & ADMET

Foundations of Cheminformatics & Molecular Representations — Hands-on

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