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024 7 $a10.1007/978-3-031-52057-0
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035   $a(DE-He213)978-3-031-52057-0
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100   $a20240125d2024      u|         0
101 0 $aeng
135   $aur|||||||||||
181   $ctxt$2rdacontent
182   $cc$2rdamedia
183   $acr$2rdacarrier
200 10$aq-RASAR $eA Path to Predictive Cheminformatics /$fby Kunal Roy, Arkaprava Banerjee
205   $a1st ed. 2024.
210  1$aCham :$cSpringer Nature Switzerland :$cImprint: Springer,$d2024.
215   $a1 online resource (99 pages)
225 1 $aSpringerBriefs in Molecular Science,$x2191-5415
311 08$a9783031520563 
320   $aIncludes bibliographical references.
327   $aChemical 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.
330   $aThis brief offers an introduction to the fascinating new field of quantitative read-across structure-activity relationships (q-RASAR) as a cheminformatics modeling approach in the background of quantitative structure-activity relationships (QSAR) and read-across (RA) as data gap-filling methods. It discusses the genesis and model development of q-RASAR models demonstrating practical examples. It also showcases successful case studies on the application of q-RASAR modeling in medicinal chemistry, predictive toxicology, and materials sciences. The book also includes the tools used for q-RASAR model development for new users. It is a valuable resource for researchers and students interested in grasping the development algorithm of q-RASAR models and their application within specific research domains.
410  0$aSpringerBriefs in Molecular Science,$x2191-5415
606   $aChemistry$xData processing
606   $aQuantum theory
606   $aComputer simulation
606   $aMolecules$xModels
606   $aComputational Chemistry
606   $aQuantum Simulations
606   $aMolecular Modelling
615  0$aChemistry$xData processing.
615  0$aQuantum theory.
615  0$aComputer simulation.
615  0$aMolecules$xModels.
615 14$aComputational Chemistry.
615 24$aQuantum Simulations.
615 24$aMolecular Modelling.
676   $a542.85
700   $aRoy$b Kunal$f1971-$0929716
702   $aBanerjee$b Arkaprava
801  0$bMiAaPQ
801  1$bMiAaPQ
801  2$bMiAaPQ
906   $aBOOK
912   $a9910806198703321
996   $aQ-RASAR$93907888
997   $aUNINA