These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

236 related articles for article (PubMed ID: 14741036)

  • 1. ADME evaluation in drug discovery. 4. Prediction of aqueous solubility based on atom contribution approach.
    Hou TJ; Xia K; Zhang W; Xu XJ
    J Chem Inf Comput Sci; 2004; 44(1):266-75. PubMed ID: 14741036
    [TBL] [Abstract][Full Text] [Related]  

  • 2. ADME evaluation in drug discovery. 2. Prediction of partition coefficient by atom-additive approach based on atom-weighted solvent accessible surface areas.
    Hou TJ; Xu XJ
    J Chem Inf Comput Sci; 2003; 43(3):1058-67. PubMed ID: 12767165
    [TBL] [Abstract][Full Text] [Related]  

  • 3. ADME evaluation in drug discovery. 5. Correlation of Caco-2 permeation with simple molecular properties.
    Hou TJ; Zhang W; Xia K; Qiao XB; Xu XJ
    J Chem Inf Comput Sci; 2004; 44(5):1585-600. PubMed ID: 15446816
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Computational aqueous solubility prediction for drug-like compounds in congeneric series.
    Du-Cuny L; Huwyler J; Wiese M; Kansy M
    Eur J Med Chem; 2008 Mar; 43(3):501-12. PubMed ID: 17574307
    [TBL] [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; 44(6):2010-26. PubMed ID: 15554670
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Prediction of aqueous solubility of a diverse set of compounds using quantitative structure-property relationships.
    Cheng A; Merz KM
    J Med Chem; 2003 Aug; 46(17):3572-80. PubMed ID: 12904062
    [TBL] [Abstract][Full Text] [Related]  

  • 7. ADME evaluation in drug discovery. 7. Prediction of oral absorption by correlation and classification.
    Hou T; Wang J; Zhang W; Xu X
    J Chem Inf Model; 2007; 47(1):208-18. PubMed ID: 17238266
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Prediction of aqueous solubility and partition coefficient optimized by a genetic algorithm based descriptor selection method.
    Wegner JK; Zell A
    J Chem Inf Comput Sci; 2003; 43(3):1077-84. PubMed ID: 12767167
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Aqueous solubility prediction based on weighted atom type counts and solvent accessible surface areas.
    Wang J; Hou T; Xu X
    J Chem Inf Model; 2009 Mar; 49(3):571-81. PubMed ID: 19226181
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Modeling aqueous solubility.
    Butina D; Gola JM
    J Chem Inf Comput Sci; 2003; 43(3):837-41. PubMed ID: 12767141
    [TBL] [Abstract][Full Text] [Related]  

  • 11. On-the-fly selection of a training set for aqueous solubility prediction.
    Zhang H; Ando HY; Chen L; Lee PH
    Mol Pharm; 2007; 4(4):489-97. PubMed ID: 17628076
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Prediction of aqueous solubility of organic compounds based on a 3D structure representation.
    Yan A; Gasteiger J
    J Chem Inf Comput Sci; 2003; 43(2):429-34. PubMed ID: 12653505
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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; 45(4):1082-100. PubMed ID: 16045304
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Prediction of pH-dependent aqueous solubility of druglike molecules.
    Hansen NT; Kouskoumvekaki I; Jørgensen FS; Brunak S; Jónsdóttir SO
    J Chem Inf Model; 2006; 46(6):2601-9. PubMed ID: 17125200
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Prediction of soil sorption coefficient of a diverse set of organic chemicals from molecular structure.
    Huuskonen J
    J Chem Inf Comput Sci; 2003; 43(5):1457-62. PubMed ID: 14502478
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Modeling the octanol-water partition coefficients by an optimized molecular connectivity index.
    Soskić M; Plavsić D
    J Chem Inf Model; 2005; 45(4):930-8. PubMed ID: 16045287
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Protein linear indices of the 'macromolecular pseudograph alpha-carbon atom adjacency matrix' in bioinformatics. Part 1: prediction of protein stability effects of a complete set of alanine substitutions in Arc repressor.
    Marrero-Ponce Y; Medina-Marrero R; Castillo-Garit JA; Romero-Zaldivar V; Torrens F; Castro EA
    Bioorg Med Chem; 2005 Apr; 13(8):3003-15. PubMed ID: 15781410
    [TBL] [Abstract][Full Text] [Related]  

  • 19. New QSPR study for the prediction of aqueous solubility of drug-like compounds.
    Duchowicz PR; Talevi A; Bruno-Blanch LE; Castro EA
    Bioorg Med Chem; 2008 Sep; 16(17):7944-55. PubMed ID: 18701302
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Prediction of the aqueous solubility of benzylamine salts using QSPR model.
    Tantishaiyakul V
    J Pharm Biomed Anal; 2005 Feb; 37(2):411-5. PubMed ID: 15708687
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.