A primer on QSAR/QSPR modeling [electronic resource] : fundamental concepts / Kunal Roy, Supratik Kar, Rudra Narayan Das.
Roy, Kunal, 1971- author.; Kar, Supratik, author.; Das, Ru Narayan, author.
2015
QD75.4.C45 R69 2015eb
Available Online

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Title A primer on QSAR/QSPR modeling [electronic resource] : fundamental concepts / Kunal Roy, Supratik Kar, Rudra Narayan Das.
Author Roy, Kunal, 1971- author.
ISBN 9783319172811 electronic book
3319172816 electronic book
9783319172804
DOI https://doi.org/10.1007/978-3-319-17281-1
Published Cham : Springer, 2015.
Language English
Description 1 online resource (x, 121 pages) : illustrations.
Item Number 10.1007/978-3-319-17281-1 doi
Call Number QD75.4.C45 R69 2015eb
Dewey Decimal Classification 543.01/5195
Summary 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.
Bibliography, etc. Note Includes bibliographical references.
Access Note Access limited to authorized users.
Source of Description Online resource; title from PDF title page (SpringerLink, viewed April 15, 2015).
Added Author Kar, Supratik, author.
Das, Ru Narayan, author.
Series SpringerBriefs in molecular science.
Available in Other Form Print version: 9783319172804
Linked Resources Online Access
Record Appears in Online Resources > Ebooks
All Resources
QSAR/QSPR Modeling: Introduction
Statistical methods in QSAR/QSPR
QSAR/QSPR Methods
Newer directions in QSAR/QSPR.

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