Multi-dimensional QSAR in drug discovery
Abstract
Quantitative structure–activity relationships (QSAR) is an area of computational research that builds virtual models to predict quantities such as the binding affinity or the toxic potential of existing or hypothetical molecules. Although a wealth of experimental data emphasizes the active role of the target protein in the binding process, QSAR studies are frequently restricted to the properties of the small-molecule ligand. This review aims at...
Paper Details
Title
Multi-dimensional QSAR in drug discovery
Published Date
Dec 1, 2007
Journal
Volume
12
Issue
23
Pages
1013 - 1017
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