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E-book
Author Roy, Kunal, 1971- author.

Title q-RASAR : a path to predictive cheminformatics / Kunal Roy, Arkaprava Banerjee
Published Cham : Springer, 2024

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Description 1 online resource (x, 91 pages) : illustrations (some color)
Series SpringerBriefs in molecular science, 2191-5415
SpringerBriefs in molecular science, 2191-5415
Contents Chemical Information and Molecular Similarity -- Read-across and Quantitative Structure-activity Relationships (QSAR) for Making Predictions and Data Gap-Filling -- Quantitative Read-Across (q-RA) and Quantitative Read-Across Structure-Activity Relationships (q-RASAR) : Genesis and Model Development -- Tools, Applications, and Case Studies (q-RA and q-RASAR) -- Future Prospects
Summary 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
Bibliography Includes bibliographical references
Notes Online resource; title from PDF title page (SpringerLink, viewed January 31, 2024)
Subject Cheminformatics.
Computational chemistry.
QSAR (Biochemistry)
Genre/Form Electronic books
Form Electronic book
Author Banerjee, Arkaprava, author
ISBN 9783031520570
3031520572