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PUBMED FOR HANDHELDS

Journal Abstract Search

187 related items for PubMed ID: 18584863

  • 21. Quantum mechanical quantitative structure activity relationships to avoid mutagenicity in dental monomers.
    Yourtee D, Holder AJ, Smith R, Morrill JA, Kostoryz E, Brockmann W, Glaros A, Chappelow C, Eick D.
    J Biomater Sci Polym Ed; 2001; 12(1):89-105. PubMed ID: 11334192
    [Abstract] [Full Text] [Related]

  • 22. QSAR analysis of salicylamide isosteres with the use of quantum chemical molecular descriptors.
    Dolezal R, Van Damme S, Bultinck P, Waisser K.
    Eur J Med Chem; 2009 Feb; 44(2):869-76. PubMed ID: 18547684
    [Abstract] [Full Text] [Related]

  • 23. Feature selection in quantitative structure-activity relationships.
    Walters WP, Goldman BB.
    Curr Opin Drug Discov Devel; 2005 May; 8(3):329-33. PubMed ID: 15892248
    [Abstract] [Full Text] [Related]

  • 24. Membrane-interaction quantitative structure--activity relationship (MI-QSAR) analyses of skin penetration enhancers.
    Zheng T, Hopfinger AJ, Esposito EX, Liu J, Tseng YJ.
    J Chem Inf Model; 2008 Jun; 48(6):1238-56. PubMed ID: 18507373
    [Abstract] [Full Text] [Related]

  • 25. Identification of the structural requirements for mutagenicity by incorporating molecular flexibility and metabolic activation of chemicals I: TA100 model.
    Mekenyan O, Dimitrov S, Serafimova R, Thompson E, Kotov S, Dimitrova N, Walker JD.
    Chem Res Toxicol; 2004 Jun; 17(6):753-66. PubMed ID: 15206896
    [Abstract] [Full Text] [Related]

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  • 27. Development of a general quantum-chemical descriptor for steric effects: density functional theory based QSAR study of herbicidal sulfonylurea analogues.
    Xi Z, Yu Z, Niu C, Ban S, Yang G.
    J Comput Chem; 2006 Oct; 27(13):1571-6. PubMed ID: 16868987
    [Abstract] [Full Text] [Related]

  • 28. The effect of precision of molecular orbital descriptors on toxicity modeling of selected pyridines.
    Seward JR, Cronin MT, Schultz TW.
    SAR QSAR Environ Res; 2002 Mar; 13(2):325-40. PubMed ID: 12071659
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  • 30. Comparative QSTR studies for predicting mutagenicity of nitro compounds.
    Nair PC, Sobhia ME.
    J Mol Graph Model; 2008 Feb; 26(6):916-34. PubMed ID: 17689994
    [Abstract] [Full Text] [Related]

  • 31. QSAR studies on the anesthetic action of some polyhalogenated ethers.
    Mehdipour AR, Hemmateenejad B, Miri R.
    Chem Biol Drug Des; 2007 May; 69(5):362-8. PubMed ID: 17539829
    [Abstract] [Full Text] [Related]

  • 32. Computational study of histamine H3-receptor antagonist with support vector machines and three dimension quantitative structure activity relationship methods.
    Chen HF.
    Anal Chim Acta; 2008 Aug 29; 624(2):203-9. PubMed ID: 18706326
    [Abstract] [Full Text] [Related]

  • 33. Linear free energy relationship for 4-substituted (o-phenylenediamine)platinum(II) dichloride derivatives using quantum mechanical descriptors.
    Costa LA, Rocha WR, De Almeida WB, Dos Santos HF.
    J Inorg Biochem; 2005 Feb 29; 99(2):575-83. PubMed ID: 15621292
    [Abstract] [Full Text] [Related]

  • 34. Mechanistic QSAR of aromatic amines: new models for discriminating between homocyclic mutagens and nonmutagens, and validation of models for carcinogens.
    Benigni R, Bossa C, Netzeva T, Rodomonte A, Tsakovska I.
    Environ Mol Mutagen; 2007 Dec 29; 48(9):754-71. PubMed ID: 18008355
    [Abstract] [Full Text] [Related]

  • 35. Quantitative structure-activity relationship (QSAR) for a series of novel cannabinoid derivatives using descriptors derived from semi-empirical quantum-chemical calculations.
    Ferreira AM, Krishnamurthy M, Moore BM, Finkelstein D, Bashford D.
    Bioorg Med Chem; 2009 Mar 15; 17(6):2598-606. PubMed ID: 19250829
    [Abstract] [Full Text] [Related]

  • 36. Electron-correlation based externally predictive QSARs for mutagenicity of nitrated-PAHs in Salmonella typhimurium TA100.
    Reenu, Vikas.
    Ecotoxicol Environ Saf; 2014 Mar 15; 101():42-50. PubMed ID: 24507125
    [Abstract] [Full Text] [Related]

  • 37. QMQSAR: utilization of a semiempirical probe potential in a field-based QSAR method.
    Dixon S, Merz KM, Lauri G, Ianni JC.
    J Comput Chem; 2005 Jan 15; 26(1):23-34. PubMed ID: 15526326
    [Abstract] [Full Text] [Related]

  • 38. QSTR with extended topochemical atom (ETA) indices. 12. QSAR for the toxicity of diverse aromatic compounds to Tetrahymena pyriformis using chemometric tools.
    Roy K, Ghosh G.
    Chemosphere; 2009 Nov 15; 77(7):999-1009. PubMed ID: 19709717
    [Abstract] [Full Text] [Related]

  • 39. Convenient QSAR model for predicting the complexation of structurally diverse compounds with beta-cyclodextrins.
    Pérez-Garrido A, Morales Helguera A, Abellán Guillén A, Cordeiro MN, Garrido Escudero A.
    Bioorg Med Chem; 2009 Jan 15; 17(2):896-904. PubMed ID: 19056282
    [Abstract] [Full Text] [Related]

  • 40. A material model for internal stress of dental composites caused by the curing process.
    Koplin C, Jaeger R, Hahn P.
    Dent Mater; 2009 Mar 15; 25(3):331-8. PubMed ID: 18819703
    [Abstract] [Full Text] [Related]

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