1,721,149 research outputs found
Evaluation of reactant-based and product-based approaches to the design of combinatorial libraries
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Multivariate analysis of quaternary carbamazepine-saccharin mixtures by X-ray diffraction and infrared spectroscopy
No full textInvestigating Enzyme Selectivity and Hit Enrichment by Automatically Interfacing Ligand- and Structure-Based Molecular Design
No full textDesign, synthesis and biological evaluation of new coumarin mannich bases as mono-aminoxidase B (MAO-B) inhibitors and anti-inflammatory agents
No full textImproving Quantitative Structure-Activity Relationships through Multiobjective Optimization
No full textAn integrated approach to ligand- and structure-based drug design: development and application to a series of serine protease inhibitors
No full textMultiobjective optimization in quantitative structure-activity relationships: Deriving accurate and interpretable QSARs
No full textA novel function for non-deterministic scouting of optimal QSAR models out of a highly-structured physicochemical space.
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