Advances in QSAR Modeling
Applications in Pharmaceutical, Chemical, Food, Agricultural and Environmental Sciences
Published on 22. May 2017
X, 555 pages
978-3-319-56850-8 (ISBN)
Description
The book covers theoretical background and methodology as well as all current applications of Quantitative Structure-Activity Relationships (QSAR). Written by an international group of recognized researchers, this edited volume discusses applications of QSAR in multiple disciplines such as chemistry, pharmacy, environmental and agricultural sciences addressing data gaps and modern regulatory requirements. Additionally, the applications of QSAR in food science and nanoscience have been included - two areas which have only recently been able to exploit this versatile tool. This timely addition to the series is aimed at graduate students, academics and industrial scientists interested in the latest advances and applications of QSAR.
More details
Series
Edition
1st ed. 2017
Language
English
Place of publication
Cham
Switzerland
Publishing group
Springer International Publishing
Target group
Professional and scholarly
Product notice
Reflowable
Illustrations
X, 555 p. 132 illus., 71 illus. in color.
File size
12,92 MB
ISBN-13
978-3-319-56850-8 (9783319568508)
DOI
10.1007/978-3-319-56850-8
Schweitzer Classification
Other editions
Additional editions
Kunal Roy
Advances in QSAR Modeling
Applications in Pharmaceutical, Chemical, Food, Agricultural and Environmental Sciences
Book
06/2017
Springer
€427.99
Shipment within 10-15 days
Person
Prof. Dr. Kunal Roy is a Professor of the Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology Jadavpur University, Kolkata India. He was previously a Marie Curie International Incoming Fellow and Commonwealth Academic Staff Fellow at the University of Manchester, UK. Prof. Roy has published over 240 articles in peer reviewed journals, two books, one edited book as well as ten book chapters.
Content
Performance parameters and validation practices in QSAR modeling.- Towards interpretable QSAR models.- The use of topological indices in QSAR and QSPR modeling.- The Maximum Common Substructure (MCS) search as a new tool for SAR and QSAR.- The universal approach for structural and physico-chemical interpretation of QSAR/QSPR models.- Generative Topographic Mapping approach.- Monte Carlo methods for solution of tasks in Environmental Sciences.- QSAR in Environmental Research.- QSAR applications for environmental chemical prioritization: Biotransformation of chemicals.- QSAR modeling in environmental risk assessment: application to the prediction of pesticide toxicity.- Counter propagation artificial neural network (CP ANN) models for prediction of carcinogenicity of non congeneric chemicals for regulatory uses.- Strategy for identification of critical nanomaterials properties linked to biological impacts: interlinking of experimental and computational approaches.- QSAR/QSPR modeling inthe design of drug candidates with balanced pharmacodynamics and pharmacokinetic properties.- Molecular modeling of food chemicals as potential bioactive compounds.- On application QSARs in Food and Agricultural Sciences: History and Recent Developments.
