A Primer on QSAR/QSPR Modeling

Fundamental Concepts

Nonfiction, Science & Nature, Science, Chemistry, Physical & Theoretical, General Chemistry
Cover of the book A Primer on QSAR/QSPR Modeling by Kunal Roy, Supratik Kar, Rudra Narayan Das, Springer International Publishing
View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart
Author: Kunal Roy, Supratik Kar, Rudra Narayan Das ISBN: 9783319172811
Publisher: Springer International Publishing Publication: April 11, 2015
Imprint: Springer Language: English
Author: Kunal Roy, Supratik Kar, Rudra Narayan Das
ISBN: 9783319172811
Publisher: Springer International Publishing
Publication: April 11, 2015
Imprint: Springer
Language: English

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.

View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart

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.

More books from Springer International Publishing

Cover of the book Atlas of Thyroid and Neuroendocrine Tumor Markers by Kunal Roy, Supratik Kar, Rudra Narayan Das
Cover of the book Python For ArcGIS by Kunal Roy, Supratik Kar, Rudra Narayan Das
Cover of the book Engineering Ethics by Kunal Roy, Supratik Kar, Rudra Narayan Das
Cover of the book New Political Economy of Energy in Europe by Kunal Roy, Supratik Kar, Rudra Narayan Das
Cover of the book Modelling and Simulation in Management by Kunal Roy, Supratik Kar, Rudra Narayan Das
Cover of the book Decentralisation and Regional Development by Kunal Roy, Supratik Kar, Rudra Narayan Das
Cover of the book On Privacy-Preserving Protocols for Smart Metering Systems by Kunal Roy, Supratik Kar, Rudra Narayan Das
Cover of the book Dialysis Access Cases by Kunal Roy, Supratik Kar, Rudra Narayan Das
Cover of the book Data Mining and Big Data by Kunal Roy, Supratik Kar, Rudra Narayan Das
Cover of the book Post-Conflict Power-Sharing Agreements by Kunal Roy, Supratik Kar, Rudra Narayan Das
Cover of the book Morality in Cormac McCarthy's Fiction by Kunal Roy, Supratik Kar, Rudra Narayan Das
Cover of the book Designing Cognitive Cities by Kunal Roy, Supratik Kar, Rudra Narayan Das
Cover of the book Innovation Through Cooperation by Kunal Roy, Supratik Kar, Rudra Narayan Das
Cover of the book Christian Democracy Across the Iron Curtain by Kunal Roy, Supratik Kar, Rudra Narayan Das
Cover of the book Shape in Medical Imaging by Kunal Roy, Supratik Kar, Rudra Narayan Das
We use our own "cookies" and third party cookies to improve services and to see statistical information. By using this website, you agree to our Privacy Policy