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Journal Abstract Search

159 related items for PubMed ID: 15844441

  • 1. QSAR modeling based on structure-information for properties of interest in human health.
    Hall LH, Hall LM.
    SAR QSAR Environ Res; 2005; 16(1-2):13-41. PubMed ID: 15844441
    [Abstract] [Full Text] [Related]

  • 2. A structure-information approach to the prediction of biological activities and properties.
    Hall LH.
    Chem Biodivers; 2004 Jan; 1(1):183-201. PubMed ID: 17191786
    [Abstract] [Full Text] [Related]

  • 3. Three new consensus QSAR models for the prediction of Ames genotoxicity.
    Votano JR, Parham M, Hall LH, Kier LB, Oloff S, Tropsha A, Xie Q, Tong W.
    Mutagenesis; 2004 Sep; 19(5):365-77. PubMed ID: 15388809
    [Abstract] [Full Text] [Related]

  • 4. Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps.
    Marrero-Ponce Y, Iyarreta-Veitía M, Montero-Torres A, Romero-Zaldivar C, Brandt CA, Avila PE, Kirchgatter K, Machado Y.
    J Chem Inf Model; 2005 Sep; 45(4):1082-100. PubMed ID: 16045304
    [Abstract] [Full Text] [Related]

  • 5. Linear indices of the "molecular pseudograph's atom adjacency matrix": definition, significance-interpretation, and application to QSAR analysis of flavone derivatives as HIV-1 integrase inhibitors.
    Marrero-Ponce Y.
    J Chem Inf Comput Sci; 2004 Sep; 44(6):2010-26. PubMed ID: 15554670
    [Abstract] [Full Text] [Related]

  • 6. Prediction and mechanistic interpretation of human oral drug absorption using MI-QSAR analysis.
    Iyer M, Tseng YJ, Senese CL, Liu J, Hopfinger AJ.
    Mol Pharm; 2007 Sep; 4(2):218-31. PubMed ID: 17397237
    [Abstract] [Full Text] [Related]

  • 7. Linear QSAR regression models for the prediction of bioconcentration factors by physicochemical properties and structural theoretical molecular descriptors.
    Papa E, Dearden JC, Gramatica P.
    Chemosphere; 2007 Feb; 67(2):351-8. PubMed ID: 17109926
    [Abstract] [Full Text] [Related]

  • 8. Modeling dipeptides as ACE inhibitors and bitter-tasting compounds by means of E-state structure-information representation.
    Spasov B, Hall LH.
    Chem Biodivers; 2007 Nov; 4(11):2528-39. PubMed ID: 18027352
    [Abstract] [Full Text] [Related]

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  • 10. Prediction of aqueous solubility based on large datasets using several QSPR models utilizing topological structure representation.
    Votano JR, Parham M, Hall LH, Kier LB, Hall LM.
    Chem Biodivers; 2004 Nov; 1(11):1829-41. PubMed ID: 17191819
    [Abstract] [Full Text] [Related]

  • 11. Quantitative structure-activity relationship (QSAR) for insecticides: development of predictive in vivo insecticide activity models.
    Naik PK, Singh T, Singh H.
    SAR QSAR Environ Res; 2009 Jul; 20(5-6):551-66. PubMed ID: 19916114
    [Abstract] [Full Text] [Related]

  • 12. 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]

  • 13. Predicting MDCK cell permeation coefficients of organic molecules using membrane-interaction QSAR analysis.
    Chen LL, Yao J, Yang JB, Yang J.
    Acta Pharmacol Sin; 2005 Nov 01; 26(11):1322-33. PubMed ID: 16225754
    [Abstract] [Full Text] [Related]

  • 14. Quantitative structure-activity relationship modeling of the toxicity of organothiophosphate pesticides to Daphnia magna and Cyprinus carpio.
    Zvinavashe E, Du T, Griff T, van den Berg HH, Soffers AE, Vervoort J, Murk AJ, Rietjens IM.
    Chemosphere; 2009 Jun 01; 75(11):1531-8. PubMed ID: 19376559
    [Abstract] [Full Text] [Related]

  • 15. E-state modeling of fish toxicity independent of 3D structure information.
    Rose K, Hall LH.
    SAR QSAR Environ Res; 2003 Apr 01; 14(2):113-29. PubMed ID: 12747570
    [Abstract] [Full Text] [Related]

  • 16. A new topological descriptors based model for predicting intestinal epithelial transport of drugs in Caco-2 cell culture.
    Marrero Ponce Y, Cabrera Pérez MA, Romero Zaldivar V, González Díaz H, Torrens F.
    J Pharm Pharm Sci; 2004 Jun 29; 7(2):186-99. PubMed ID: 15367375
    [Abstract] [Full Text] [Related]

  • 17. Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis.
    Zhu H, Tropsha A, Fourches D, Varnek A, Papa E, Gramatica P, Oberg T, Dao P, Cherkasov A, Tetko IV.
    J Chem Inf Model; 2008 Apr 29; 48(4):766-84. PubMed ID: 18311912
    [Abstract] [Full Text] [Related]

  • 18. Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection.
    Tetko IV, Sushko I, Pandey AK, Zhu H, Tropsha A, Papa E, Oberg T, Todeschini R, Fourches D, Varnek A.
    J Chem Inf Model; 2008 Sep 29; 48(9):1733-46. PubMed ID: 18729318
    [Abstract] [Full Text] [Related]

  • 19. Total and local (atom and atom type) molecular quadratic indices: significance interpretation, comparison to other molecular descriptors, and QSPR/QSAR applications.
    Ponce YM.
    Bioorg Med Chem; 2004 Dec 15; 12(24):6351-69. PubMed ID: 15556754
    [Abstract] [Full Text] [Related]

  • 20. Quantitative structure-activity relationship for cyclic imide derivatives of protoporphyrinogen oxidase inhibitors: a study of quantum chemical descriptors from density functional theory.
    Wan J, Zhang L, Yang G, Zhan CG.
    J Chem Inf Comput Sci; 2004 Dec 15; 44(6):2099-105. PubMed ID: 15554680
    [Abstract] [Full Text] [Related]

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