03406nam a22005535i 4500 978-3-031-52057-0 DE-He213 20251030111402.0 cr nn 008mamaa 240125s2024 sz | s |||| 0|eng d 9783031520570 978-3-031-52057-0 10.1007/978-3-031-52057-0 doi QD39.3.E46 PNR bicssc SCI013070 bisacsh PNRA thema Roy, Kunal. author. (orcid)0000-0003-4486-8074 https://orcid.org/0000-0003-4486-8074 aut http://id.loc.gov/vocabulary/relators/aut 69912 q-RASAR [electronic resource] : A Path to Predictive Cheminformatics / by Kunal Roy, Arkaprava Banerjee. 1st ed. 2024. Cham : Springer Nature Switzerland : Imprint: Springer, 2024. X, 91 p. 20 illus., 17 illus. in color. online resource. text txt rdacontent computer c rdamedia online resource cr rdacarrier text file PDF rda SpringerBriefs in Molecular Science, 2191-5415 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. 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. Chemistry Data processing. 69913 Quantum physics. 66608 Computer simulation. Molecules Models. 69914 Computational Chemistry. 69915 Quantum Simulations. 69916 Molecular Modelling. 69917 Banerjee, Arkaprava. author. (orcid)0000-0001-8468-0784 https://orcid.org/0000-0001-8468-0784 aut http://id.loc.gov/vocabulary/relators/aut 69918 SpringerLink (Online service) Springer Nature eBook Printed edition: 9783031520563 Printed edition: 9783031520587 SpringerBriefs in Molecular Science, 2191-5415 69919 https://doi.org/10.1007/978-3-031-52057-0 ZDB-2-CMS ZDB-2-SXC 57309 57309