04043nam 22007215 450 991029863550332120200701111857.03-319-17281-610.1007/978-3-319-17281-1(CKB)3710000000394742(EBL)2095477(SSID)ssj0001500953(PQKBManifestationID)11852694(PQKBTitleCode)TC0001500953(PQKBWorkID)11521242(PQKB)11748361(DE-He213)978-3-319-17281-1(MiAaPQ)EBC2095477(PPN)258863048(PPN)185487033(EXLCZ)99371000000039474220150411d2015 u| 0engur|n|---|||||txtccrA Primer on QSAR/QSPR Modeling Fundamental Concepts /by Kunal Roy, Supratik Kar, Rudra Narayan Das1st ed. 2015.Cham :Springer International Publishing :Imprint: Springer,2015.1 online resource (129 p.)SpringerBriefs in Molecular Science,2191-5407Description based upon print version of record.3-319-17280-8 Includes bibliographical references at the end of each chapters.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.SpringerBriefs in Molecular Science,2191-5407Chemistry, Physical and theoreticalChemometricsBioinformatics Computational biology Theoretical and Computational Chemistryhttps://scigraph.springernature.com/ontologies/product-market-codes/C25007Math. Applications in Chemistryhttps://scigraph.springernature.com/ontologies/product-market-codes/C17004Computer Appl. in Life Scienceshttps://scigraph.springernature.com/ontologies/product-market-codes/L17004Chemistry, Physical and theoretical.Chemometrics.Bioinformatics .Computational biology .Theoretical and Computational Chemistry.Math. Applications in Chemistry.Computer Appl. in Life Sciences.543.0072Roy Kunalauthttp://id.loc.gov/vocabulary/relators/aut929716Kar Supratikauthttp://id.loc.gov/vocabulary/relators/autDas Rudra Narayanauthttp://id.loc.gov/vocabulary/relators/autMiAaPQMiAaPQMiAaPQBOOK9910298635503321A Primer on QSAR2089754UNINA