Supratik Kar's Books

A Primer on QSAR/QSPR Modeling

Fundamental Concepts

By: Kunal Roy,Supratik Kar,Rudra Narayan Das

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A Primer on QSAR/QSPR Modeling

Fundamental Concepts

By: Kunal Roy,Supratik Kar,Rudra Narayan Das

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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Page Count

129

Publisher

Springer

Published Date

ISBN 10

3319172816

ISBN 13

9783319172811

Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment

By: Kunal Roy,Supratik Kar,Rudra Narayan Das

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Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment

By: Kunal Roy,Supratik Kar,Rudra Narayan Das

Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment describes the historical evolution of quantitative structure-activity relationship (QSAR) approaches and their fundamental principles. This book includes clear, introductory coverage of the statistical methods applied in QSAR and new QSAR techniques, such as HQSAR and G-QSAR. Containing real-world examples that illustrate important methodologies, this book identifies QSAR as a valuable tool for many different applications, including drug discovery, predictive toxicology and risk assessment. Written in a straightforward and engaging manner, this is the ideal resource for all those looking for general and practical knowledge of QSAR methods. - Includes numerous practical examples related to QSAR methods and applications - Follows the Organization for Economic Co-operation and Development principles for QSAR model development - Discusses related techniques such as structure-based design and the combination of structure- and ligand-based design tools

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Page Count

494

Publisher

Academic Press

Published Date

ISBN 10

0128016337

ISBN 13

9780128016336

Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment

By: Kunal Roy,Supratik Kar,Rudra Narayan Das

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Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment

By: Kunal Roy,Supratik Kar,Rudra Narayan Das

Average ratings

N/A

Write a review

Solve jigsaw puzzle

Age

Page Count

494

Publisher

Academic Press

Published Date

ISBN 10

0128016337

ISBN 13

9780128016336

Book's by Supratik Kar

A Primer on QSAR/QSPR Modeling

A Primer on QSAR/QSPR Modeling

Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment

Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment

Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment

Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment

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