q-RASAR [electronic resource] : A Path to Predictive Cheminformatics / by Kunal Roy, Arkaprava Banerjee.
Material type:
TextSeries: SpringerBriefs in Molecular SciencePublisher: Cham : Springer Nature Switzerland : Imprint: Springer, 2024Edition: 1st ed. 2024Description: X, 91 p. 20 illus., 17 illus. in color. online resourceContent type: - text
- computer
- online resource
- 9783031520570
- QD39.3.E46
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.
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