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 symbolize predictive types derived from the appliance of statistical instruments correlating organic task (including healing and poisonous) and homes of chemical substances (drugs/toxicants/environmental toxins) with descriptors consultant of molecular constitution and/or homes. It explains how the sub-discipline of Cheminformatics is used for plenty of purposes corresponding to chance review, toxicity prediction, estate prediction and regulatory judgements except drug discovery and lead optimization. The authors additionally current, only, how QSARs and comparable chemometric instruments are largely thinking about medicinal chemistry, environmental chemistry and agricultural chemistry for score of capability compounds and prioritizing experiments. at the moment, there's no typical or introductory ebook to be had that introduces this significant subject to scholars of chemistry and pharmacy. With this in brain, the authors have conscientiously compiled this short with a purpose to offer an intensive and painless advent to the basic recommendations of QSAR/QSPR modelling. The short is aimed 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