SpringerBriefs in Molecular Science: A Path to Predictive Cheminformatics

Roy, Kunal; Banerjee, Arkaprava

This brief offers an introduction to the fascinating new field of quantitative read-across structure-activity relationships (q-RASAR) as a cheminformatics modeling approach in the background of quantitative structure-activity relationships (QSAR) and read-across (RA) as data gap-filling methods. It discusses the genesis and model development of q-RASAR models demonstrating practical examples. It also showcases successful case studies on the application of q-RASAR modeling in medicinal chemistry, predictive toxicology, and materials sciences. The book also includes the tools used for q-RASAR model development for new users. It is a valuable resource for researchers and students interested in grasping the development algorithm of q-RASAR models and their application within specific research domains.

Details

Published by: Springer

Publication Date: 2024-01-26

Format: Paperback

ISBN-13: 9783031520563

DOI: 10.1007/978-3-031-52057-0

Dimensions: 235cm x155cm

Pages: 91