Physical Theoretical Chemistry

Download e-book for kindle: A Primer on QSAR/QSPR Modeling: Fundamental Concepts by Kunal Roy,Supratik Kar,Rudra Narayan Das

Posted On March 25, 2018 at 12:51 pm by / Comments Off on Download e-book for kindle: A Primer on QSAR/QSPR Modeling: Fundamental Concepts by Kunal Roy,Supratik Kar,Rudra Narayan Das

By Kunal Roy,Supratik Kar,Rudra Narayan Das

ISBN-10: 3319172808

ISBN-13: 9783319172804

This short is going again to fundamentals and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that characterize predictive types derived from the appliance of statistical instruments correlating organic task (including healing and poisonous) and houses of chemical substances (drugs/toxicants/environmental pollution) with descriptors consultant of molecular constitution and/or homes. It explains how the sub-discipline of Cheminformatics is used for lots of purposes equivalent to chance overview, toxicity prediction, estate prediction and regulatory judgements except drug discovery and lead optimization. The authors additionally current, merely, how QSARs and comparable chemometric instruments are largely focused on medicinal chemistry, environmental chemistry and agricultural chemistry for score of power compounds and prioritizing experiments. at the moment, there isn't any normal or introductory ebook on hand that introduces this crucial subject to scholars of chemistry and pharmacy. With this in brain, the authors have conscientiously compiled this short on the way to offer a radical and painless creation to the elemental suggestions of QSAR/QSPR modelling. The short is geared toward beginner readers.

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A Primer on QSAR/QSPR Modeling: Fundamental Concepts (SpringerBriefs in Molecular Science) by Kunal Roy,Supratik Kar,Rudra Narayan Das


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