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HQSAR contribution maps of compound B-12(A), B-2(B), P-41(C), B-10(D)

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Combined 3D-quantitative structure–activity relationships and

Computational investigation of pyrrolidin derivatives as novel

Computational integration for antifungal 1,2,4-triazole inhibitors

Application of molecular dynamics simulation in self-assembled

Understanding PPAR-δ affinity and selectivity using hologram

QSAR-Driven Discovery of Novel Chemical Scaffolds Active against

Full article: Convergent QSAR studies on a series of NK3 receptor

Frontiers Experimentally Validated Pharmacoinformatics Approach

Computational integration for antifungal 1,2,4-triazole inhibitors

Full article: A combined ligand-based and structure-based in

Molecules, Free Full-Text

PDF) HQSAR and random forest-based QSAR models for anti-T

Full article: Employing comparative QSAR techniques for the