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Journal Abstract Search

139 related items for PubMed ID: 29680928

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  • 23. Predicting fluorescence to singlet oxygen generation quantum yield ratio for BODIPY dyes using QSPR and machine learning.
    Chebotaev PP, Buglak AA, Sheehan A, Filatov MA.
    Phys Chem Chem Phys; 2024 Oct 02; 26(38):25131-25142. PubMed ID: 39311461
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  • 24. Geometry optimization method versus predictive ability in QSPR modeling for ionic liquids.
    Rybinska A, Sosnowska A, Barycki M, Puzyn T.
    J Comput Aided Mol Des; 2016 Feb 02; 30(2):165-76. PubMed ID: 26830600
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  • 26. Simple quantitative structure-property relationship (QSPR) modeling of 17O carbonyl chemical shifts in substituted benzaldehydes compared to DFT and empirical approaches.
    Kiralj R, Ferreira MM.
    J Phys Chem A; 2008 Jul 10; 112(27):6134-49. PubMed ID: 18547037
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  • 29. A novel QSPR study of normalized migration time for drugs in capillary electrophoresis by new descriptors: quantum chemical investigation.
    Riahi S, Beheshti A, Ganjali MR, Norouzi P.
    Electrophoresis; 2008 Oct 10; 29(19):4027-35. PubMed ID: 18958895
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  • 32. Prediction of the melting points of fatty acids from computed molecular descriptors: a quantitative structure-property relationship study.
    Guendouzi A, Mekelleche SM.
    Chem Phys Lipids; 2012 Jan 10; 165(1):1-6. PubMed ID: 22008630
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  • 34. Universal Approach for Structural Interpretation of QSAR/QSPR Models.
    Polishchuk PG, Kuz'min VE, Artemenko AG, Muratov EN.
    Mol Inform; 2013 Oct 10; 32(9-10):843-53. PubMed ID: 27480236
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  • 36. Rapid prediction of chemical metabolism by human UDP-glucuronosyltransferase isoforms using quantum chemical descriptors derived with the electronegativity equalization method.
    Sorich MJ, McKinnon RA, Miners JO, Winkler DA, Smith PA.
    J Med Chem; 2004 Oct 07; 47(21):5311-7. PubMed ID: 15456275
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  • 38. Prediction of 13C chemical shifts in methoxyflavonol derivatives using MIA-QSPR.
    Goodarzi M, Freitas MP, Ramalho TC.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct 01; 74(2):563-8. PubMed ID: 19648055
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  • 39. QSPR studies for predicting polarity parameter of organic compounds in methanol using support vector machine and enhanced replacement method.
    Golmohammadi H, Dashtbozorgi Z.
    SAR QSAR Environ Res; 2016 Dec 01; 27(12):977-997. PubMed ID: 27658742
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