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q-RASAR: A Path to Predictive Cheminformatics. 1st ed. 2024

q-RASAR: A Path to Predictive Cheminformatics. 1st ed. 2024

・ISBN 978-3-031-52056-3 paper EUR 44.99

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お気に入り
著者・編者Roy, Kunal / Banerjee, Arkaprava,
シリーズ (SpringerBriefs in Molecular Science)
出版社 (Springer International Publishing AG, SZ)
出版年月2024
ページ数91 pp.
言語ENG
ニュース番号<A02-12259>

解説

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.