Text

A Primer on QSAR/QSPR Modeling Fundamental Concept

---

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.

---

Availability

No copy data

Detail Information

Series Title

SpringerBriefs in Molecular Science

Call Number

541 ROY p

Publisher

: Springer., 2015

Collation

X, 121

Language

English

ISBN/ISSN

978-3-319-17281-1

Classification

541

Content Type

text

Media Type

computer

Carrier Type

online resource

Edition

-

Subject(s)

Theoretical Chemistry
Mathematical Applications in Chemistry,

Specific Detail Info

-

Statement of Responsibility

Kunal Roy, Supratik Kar, Rudra Narayan Das

Other Information

Cataloger

umi

Source

https://link.springer.com/content/pdf/10.1007/978-3-319-17281-1.pdf?pdf=button

Validator

-

Other version/related

File Attachment

Comments

---

You must be logged in to post a comment