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020 _a9783031520570
_9978-3-031-52057-0
024 7 _a10.1007/978-3-031-52057-0
_2doi
050 4 _aQD39.3.E46
072 7 _aPNR
_2bicssc
072 7 _aSCI013070
_2bisacsh
072 7 _aPNRA
_2thema
100 1 _aRoy, Kunal.
_eauthor.
_0(orcid)0000-0003-4486-8074
_1https://orcid.org/0000-0003-4486-8074
_4aut
_4http://id.loc.gov/vocabulary/relators/aut
_969912
245 1 0 _aq-RASAR
_h[electronic resource] :
_bA Path to Predictive Cheminformatics /
_cby Kunal Roy, Arkaprava Banerjee.
250 _a1st ed. 2024.
264 1 _aCham :
_bSpringer Nature Switzerland :
_bImprint: Springer,
_c2024.
300 _aX, 91 p. 20 illus., 17 illus. in color.
_bonline resource.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
_bPDF
_2rda
490 1 _aSpringerBriefs in Molecular Science,
_x2191-5415
505 0 _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.
520 _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.
650 0 _aChemistry
_xData processing.
_969913
650 0 _aQuantum physics.
_966608
650 0 _aComputer simulation.
650 0 _aMolecules
_xModels.
_969914
650 1 4 _aComputational Chemistry.
_969915
650 2 4 _aQuantum Simulations.
_969916
650 2 4 _aMolecular Modelling.
_969917
700 1 _aBanerjee, Arkaprava.
_eauthor.
_0(orcid)0000-0001-8468-0784
_1https://orcid.org/0000-0001-8468-0784
_4aut
_4http://id.loc.gov/vocabulary/relators/aut
_969918
710 2 _aSpringerLink (Online service)
773 0 _tSpringer Nature eBook
776 0 8 _iPrinted edition:
_z9783031520563
776 0 8 _iPrinted edition:
_z9783031520587
830 0 _aSpringerBriefs in Molecular Science,
_x2191-5415
_969919
856 4 0 _uhttps://doi.org/10.1007/978-3-031-52057-0
912 _aZDB-2-CMS
912 _aZDB-2-SXC
999 _c57309
_d57309