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110 related items for PubMed ID: 18841953

  • 1. Predicting boiling points of aliphatic alcohols through multivariate image analysis applied to quantitative structure-property relationships.
    Goodarzi M, Freitas MP.
    J Phys Chem A; 2008 Nov 06; 112(44):11263-5. PubMed ID: 18841953
    [Abstract] [Full Text] [Related]

  • 2. 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
    [Abstract] [Full Text] [Related]

  • 3. Boiling points of halogenated aliphatic compounds: a quantitative structure-property relationship for prediction and validation.
    Oberg T.
    J Chem Inf Comput Sci; 2004 Oct 01; 44(1):187-92. PubMed ID: 14741027
    [Abstract] [Full Text] [Related]

  • 4. Improvement of multivariate image analysis applied to quantitative structure-activity relationship (QSAR) analysis by using wavelet-principal component analysis ranking variable selection and least-squares support vector machine regression: QSAR study of checkpoint kinase WEE1 inhibitors.
    Cormanich RA, Goodarzi M, Freitas MP.
    Chem Biol Drug Des; 2009 Feb 01; 73(2):244-52. PubMed ID: 19207427
    [Abstract] [Full Text] [Related]

  • 5. QSPR using MOLGEN-QSPR: the example of haloalkane boiling points.
    Rücker C, Meringer M, Kerber A.
    J Chem Inf Comput Sci; 2004 Feb 01; 44(6):2070-6. PubMed ID: 15554677
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  • 6. 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
    [Abstract] [Full Text] [Related]

  • 7. QSPR using MOLGEN-QSPR: the challenge of fluoroalkane boiling points.
    Rücker C, Meringer M, Kerber A.
    J Chem Inf Model; 2005 Jul 10; 45(1):74-80. PubMed ID: 15667131
    [Abstract] [Full Text] [Related]

  • 8. Application of multivariate image analysis in modeling (13) C-NMR chemical shifts of mono substituted pyridines.
    Garkani-Nejad Z, Ahmadvand M.
    Magn Reson Chem; 2012 Jan 10; 50(1):7-15. PubMed ID: 22259162
    [Abstract] [Full Text] [Related]

  • 9. Prediction of boiling points of organic compounds by QSPR tools.
    Dai YM, Zhu ZP, Cao Z, Zhang YF, Zeng JL, Li X.
    J Mol Graph Model; 2013 Jul 10; 44():113-9. PubMed ID: 23792208
    [Abstract] [Full Text] [Related]

  • 10. Quantitative structure-property relationship studies for predicting flash points of alkanes using group bond contribution method with back-propagation neural network.
    Pan Y, Jiang J, Wang Z.
    J Hazard Mater; 2007 Aug 17; 147(1-2):424-30. PubMed ID: 17292543
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  • 14. QSPR models based on molecular mechanics and quantum chemical calculations. 1. Construction of Boltzmann-averaged descriptors for alkanes, alcohols, diols, ethers and cyclic compounds.
    Dyekjaer J, Rasmussen K, Jónsdóttir S.
    J Mol Model; 2002 Sep 17; 8(9):277-89. PubMed ID: 12415333
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  • 15. Determination of Abraham solute parameters from molecular structure.
    Jover J, Bosque R, Sales J.
    J Chem Inf Comput Sci; 2004 Sep 17; 44(3):1098-106. PubMed ID: 15154778
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  • 16. Introducing new dimensions in MIA-QSAR: a case for chemokine receptor inhibitors.
    Nunes CA, Freitas MP.
    Eur J Med Chem; 2013 Apr 17; 62():297-300. PubMed ID: 23357311
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  • 18. A Quantitative Structure-Property Relationship (QSPR) Study of aliphatic alcohols by the method of dividing the molecular structure into substructure.
    Liu F, Cao C, Cheng B.
    Int J Mol Sci; 2011 Apr 17; 12(4):2448-62. PubMed ID: 21731451
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