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A primer on QSAR/QSPR modeling fundamental concepts / [electronic resource] :
- 作者： Roy, Kunal.
- 其他作者：
- 其他題名：
- SpringerBriefs in molecular science,
- 出版： Cham : Springer International Publishing :Imprint: Springer
- 叢書名： SpringerBriefs in molecular science,
- 主題： Chemometrics. , QSAR (Biochemistry) , Chemistry , Theoretical and Computational Chemistry. , Math. Applications in Chemistry. , Computer Appl. in Life Sciences.
- ISBN： 9783319172811 (electronic bk.) 、 9783319172804 (paper)
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FIND@SFXID:
CGU
- 資料類型: 電子書
- 內容註: QSAR/QSPR Modeling: Introduction -- Statistical methods in QSAR/QSPR -- QSAR/QSPR Methods -- Newer directions in QSAR/QSPR.
- 摘要註: 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.
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讀者標籤：
- 系統號： 005133146 | 機讀編目格式
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