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q-RASAR: A Path to Predictive Cheminformatics. 1st ed. 2024
・ISBN 978-3-031-52056-3 paper EUR 44.99
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| 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.