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Journal Abstract Search

299 related items for PubMed ID: 16995747

  • 21. Quantitative structure-activity relationship studies for prediction of antimicrobial activity of synthesized 2,4-hexadienoic acid derivatives.
    Narasimhan B, Judge V, Narang R, Ohlan R, Ohlan S.
    Bioorg Med Chem Lett; 2007 Nov 01; 17(21):5836-45. PubMed ID: 17869511
    [Abstract] [Full Text] [Related]

  • 22. Development and validation of k-nearest-neighbor QSPR models of metabolic stability of drug candidates.
    Shen M, Xiao Y, Golbraikh A, Gombar VK, Tropsha A.
    J Med Chem; 2003 Jul 03; 46(14):3013-20. PubMed ID: 12825940
    [Abstract] [Full Text] [Related]

  • 23. QSAR study of antimicrobial activity of some 3-nitrocoumarins and related compounds.
    Debeljak Z, Skrbo A, Jasprica I, Mornar A, Plecko V, Banjanac M, Medić-Sarić M.
    J Chem Inf Model; 2007 Jul 03; 47(3):918-26. PubMed ID: 17489552
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  • 25. Methods for applying the quantitative structure-activity relationship paradigm.
    Esposito EX, Hopfinger AJ, Madura JD.
    Methods Mol Biol; 2004 Jul 03; 275():131-214. PubMed ID: 15141113
    [Abstract] [Full Text] [Related]

  • 26. ANN-QSAR model of drug-binding to human serum albumin.
    Deeb O, Hemmateenejad B.
    Chem Biol Drug Des; 2007 Jul 03; 70(1):19-29. PubMed ID: 17630991
    [Abstract] [Full Text] [Related]

  • 27. Structural requirements of pyrido[2,3-d]pyrimidin-7-one as CDK4/D inhibitors: 2D autocorrelation, CoMFA and CoMSIA analyses.
    Caballero J, Fernández M, González-Nilo FD.
    Bioorg Med Chem; 2008 Jun 01; 16(11):6103-15. PubMed ID: 18468903
    [Abstract] [Full Text] [Related]

  • 28. Safety and nutritional assessment of GM plants and derived food and feed: the role of animal feeding trials.
    EFSA GMO Panel Working Group on Animal Feeding Trials.
    Food Chem Toxicol; 2008 Mar 01; 46 Suppl 1():S2-70. PubMed ID: 18328408
    [Abstract] [Full Text] [Related]

  • 29. Combinatorial QSAR modeling of P-glycoprotein substrates.
    de Cerqueira Lima P, Golbraikh A, Oloff S, Xiao Y, Tropsha A.
    J Chem Inf Model; 2006 Mar 01; 46(3):1245-54. PubMed ID: 16711744
    [Abstract] [Full Text] [Related]

  • 30. Predictive QSAR modeling of HIV reverse transcriptase inhibitor TIBO derivatives.
    Mandal AS, Roy K.
    Eur J Med Chem; 2009 Apr 01; 44(4):1509-24. PubMed ID: 18760864
    [Abstract] [Full Text] [Related]

  • 31. Interpreting computational neural network QSAR models: a measure of descriptor importance.
    Guha R, Jurs PC.
    J Chem Inf Model; 2005 Apr 01; 45(3):800-6. PubMed ID: 15921469
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  • 33. Ensemble feature selection: consistent descriptor subsets for multiple QSAR models.
    Dutta D, Guha R, Wild D, Chen T.
    J Chem Inf Model; 2007 Apr 01; 47(3):989-97. PubMed ID: 17407280
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  • 34. QSAR-based solubility model for drug-like compounds.
    Gozalbes R, Pineda-Lucena A.
    Bioorg Med Chem; 2010 Oct 01; 18(19):7078-84. PubMed ID: 20810286
    [Abstract] [Full Text] [Related]

  • 35. Benchmarking of QSAR models for blood-brain barrier permeation.
    Konovalov DA, Coomans D, Deconinck E, Heyden YV.
    J Chem Inf Model; 2007 Oct 01; 47(4):1648-56. PubMed ID: 17602606
    [Abstract] [Full Text] [Related]

  • 36. Prediction of hepatic microsomal intrinsic clearance and human clearance values for drugs.
    Nikolic K, Agababa D.
    J Mol Graph Model; 2009 Oct 01; 28(3):245-52. PubMed ID: 19713138
    [Abstract] [Full Text] [Related]

  • 37. Molecule kernels: a descriptor- and alignment-free quantitative structure-activity relationship approach.
    Mohr JA, Jain BJ, Obermayer K.
    J Chem Inf Model; 2008 Sep 01; 48(9):1868-81. PubMed ID: 18767832
    [Abstract] [Full Text] [Related]

  • 38. Prediction of rodent carcinogenic potential of naturally occurring chemicals in the human diet using high-throughput QSAR predictive modeling.
    Valerio LG, Arvidson KB, Chanderbhan RF, Contrera JF.
    Toxicol Appl Pharmacol; 2007 Jul 01; 222(1):1-16. PubMed ID: 17482223
    [Abstract] [Full Text] [Related]

  • 39. 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 01; 29(19):4027-35. PubMed ID: 18958895
    [Abstract] [Full Text] [Related]

  • 40. A group center overlap based approach for "3D QSAR" studies on TIBO derivatives.
    Sapre NS, Gupta S, Pancholi N, Sapre N.
    J Comput Chem; 2009 Apr 30; 30(6):922-33. PubMed ID: 18785154
    [Abstract] [Full Text] [Related]

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