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

This short is going again to fundamentals and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that characterize predictive versions derived from the applying of statistical instruments correlating organic task (including healing and poisonous) and houses of chemical substances (drugs/toxicants/environmental toxins) with descriptors consultant of molecular constitution and/or houses. It explains how the sub-discipline of Cheminformatics is used for plenty of functions similar to possibility evaluate, toxicity prediction, estate prediction and regulatory judgements except drug discovery and lead optimization. The authors additionally current, in simple terms, how QSARs and comparable chemometric instruments are broadly taken with medicinal chemistry, environmental chemistry and agricultural chemistry for rating of strength compounds and prioritizing experiments. at the moment, there's no commonplace or introductory ebook to be had that introduces this crucial subject to scholars of chemistry and pharmacy. With this in brain, the authors have rigorously compiled this short which will offer a radical and painless advent to the elemental recommendations of QSAR/QSPR modelling. The short is aimed toward amateur 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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