QSAR and cheminformatics study of DPPH antioxidant activity using molecular fingerprints, physicochemical descriptors, scaffold- and DOI-aware validation, applicability-domain analysis, and sulfonamide–Tyr–Gly case studies.
machine-learning cheminformatics random-forest drug-discovery rdkit qsar antioxidants molecular-fingerprints applicability-domain dpph-analysis scaffold-validation peptide-chemistry
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Updated
Sep 6, 2026 - Jupyter Notebook