By Kunal Roy,Supratik Kar,Rudra Narayan Das
This short is going again to fundamentals and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that characterize predictive versions derived from the appliance of statistical instruments correlating organic job (including healing and poisonous) and houses of chemical compounds (drugs/toxicants/environmental toxins) with descriptors consultant of molecular constitution and/or houses. It explains how the sub-discipline of Cheminformatics is used for lots of purposes equivalent to chance evaluate, toxicity prediction, estate prediction and regulatory judgements except drug discovery and lead optimization. The authors additionally current, merely, how QSARs and similar chemometric instruments are greatly eager about medicinal chemistry, environmental chemistry and agricultural chemistry for rating of power compounds and prioritizing experiments. at the moment, there's no general or introductory ebook on hand that introduces this significant subject to scholars of chemistry and pharmacy. With this in brain, the authors have rigorously compiled this short so one can offer an intensive and painless advent to the elemental innovations of QSAR/QSPR modelling. The short is geared toward beginner readers.
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Extra info for A Primer on QSAR/QSPR Modeling: Fundamental Concepts (SpringerBriefs in Molecular Science)
A Primer on QSAR/QSPR Modeling: Fundamental Concepts (SpringerBriefs in Molecular Science) by Kunal Roy,Supratik Kar,Rudra Narayan Das