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A primer on QSAR/QSPR modelingfundam...

Das, Rudra Narayan.

A primer on QSAR/QSPR modelingfundamental concepts /

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	A primer on QSAR/QSPR modelingby Kunal Roy, Supratik Kar, Rudra Narayan Das.
其他題名:	fundamental concepts /
作者:	Roy, Kunal.
其他作者:	Kar, Supratik.
出版者:	Cham :Springer International Publishing :2015.
面頁冊數:	x, 121 p. :ill., digital ;24 cm.
Contained By:	Springer eBooks
標題:	Chemometrics.
電子資源:	http://dx.doi.org/10.1007/978-3-319-17281-1
ISBN:	9783319172811 (electronic bk.)

A primer on QSAR/QSPR modelingfundamental concepts /
Roy, Kunal.

A primer on QSAR/QSPR modelingfundamental concepts /[electronic resource] :by Kunal Roy, Supratik Kar, Rudra Narayan Das. - Cham :Springer International Publishing :2015. - x, 121 p. :ill., digital ;24 cm. - SpringerBriefs in molecular science,2191-5407. - SpringerBriefs in molecular science..

QSAR/QSPR Modeling: Introduction -- Statistical methods in QSAR/QSPR -- QSAR/QSPR Methods -- Newer directions in QSAR/QSPR.

This brief goes back to basics and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that represent predictive models derived from the application of statistical tools correlating biological activity (including therapeutic and toxic) and properties of chemicals (drugs/toxicants/environmental pollutants) with descriptors representative of molecular structure and/or properties. It explains how the sub-discipline of Cheminformatics is used for many applications such as risk assessment, toxicity prediction, property prediction and regulatory decisions apart from drug discovery and lead optimization. The authors also present, in basic terms, how QSARs and related chemometric tools are extensively involved in medicinal chemistry, environmental chemistry and agricultural chemistry for ranking of potential compounds and prioritizing experiments. At present, there is no standard or introductory publication available that introduces this important topic to students of chemistry and pharmacy. With this in mind, the authors have carefully compiled this brief in order to provide a thorough and painless introduction to the fundamental concepts of QSAR/QSPR modelling. The brief is aimed at novice readers.

ISBN: 9783319172811 (electronic bk.)

Standard No.: 10.1007/978-3-319-17281-1doiSubjects--Topical Terms:

265647
Chemometrics.

LC Class. No.: QD75.4.C45

Dewey Class. No.: 543.015195

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