03032nam 22006135 450 991080619870332120240322011332.03-031-52057-210.1007/978-3-031-52057-0(CKB)30097997700041(MiAaPQ)EBC31090050(Au-PeEL)EBL31090050(DE-He213)978-3-031-52057-0(EXLCZ)993009799770004120240125d2024 u| 0engur|||||||||||txtrdacontentcrdamediacrrdacarrierq-RASAR A Path to Predictive Cheminformatics /by Kunal Roy, Arkaprava Banerjee1st ed. 2024.Cham :Springer Nature Switzerland :Imprint: Springer,2024.1 online resource (99 pages)SpringerBriefs in Molecular Science,2191-54159783031520563 Includes bibliographical references.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.SpringerBriefs in Molecular Science,2191-5415ChemistryData processingQuantum physicsComputer simulationMoleculesModelsComputational ChemistryQuantum SimulationsMolecular ModellingChemistryData processing.Quantum physics.Computer simulation.MoleculesModels.Computational Chemistry.Quantum Simulations.Molecular Modelling.542.85Roy Kunal1971-929716Banerjee ArkapravaMiAaPQMiAaPQMiAaPQBOOK9910806198703321Q-RASAR3907888UNINA