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149 related items for PubMed ID: 15287695

  • 1. Linear and nonlinear functions on modeling of aqueous solubility of organic compounds by two structure representation methods.
    Yan A, Gasteiger J, Krug M, Anzali S.
    J Comput Aided Mol Des; 2004 Feb; 18(2):75-87. PubMed ID: 15287695
    [Abstract] [Full Text] [Related]

  • 2. Prediction of aqueous solubility of organic compounds based on a 3D structure representation.
    Yan A, Gasteiger J.
    J Chem Inf Comput Sci; 2003 Feb; 43(2):429-34. PubMed ID: 12653505
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  • 3. 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 Feb; 43(3):1077-84. PubMed ID: 12767167
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  • 4. Prediction of aqueous solubility for a diverse set of organic compounds based on atom-type electrotopological state indices.
    Huuskonen J, Rantanen J, Livingstone D.
    Eur J Med Chem; 2000 Dec; 35(12):1081-8. PubMed ID: 11248406
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  • 5. Modeling of Gibbs energy of formation of organic compounds by linear and nonlinear methods.
    Yan A.
    J Chem Inf Model; 2006 Dec; 46(6):2299-304. PubMed ID: 17125172
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  • 10. Modeling aqueous solubility.
    Butina D, Gola JM.
    J Chem Inf Comput Sci; 2003 Dec; 43(3):837-41. PubMed ID: 12767141
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  • 11. Estimation of water solubility from atom-type electrotopological state indices.
    Huuskonen J.
    Environ Toxicol Chem; 2001 Mar; 20(3):491-7. PubMed ID: 11349848
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  • 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
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  • 13. Scores of extended connectivity fingerprint as descriptors in QSPR study of melting point and aqueous solubility.
    Zhou D, Alelyunas Y, Liu R.
    J Chem Inf Model; 2008 May; 48(5):981-7. PubMed ID: 18465850
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  • 14. Prediction of aqueous solubility of organic compounds using a quantitative structure-property relationship.
    Chen XQ, Cho SJ, Li Y, Venkatesh S.
    J Pharm Sci; 2002 Aug; 91(8):1838-52. PubMed ID: 12115811
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  • 15. 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 01; 16(17):7944-55. PubMed ID: 18701302
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  • 16. Simultaneous prediction of aqueous solubility and octanol/water partition coefficient based on descriptors derived from molecular structure.
    Livingstone DJ, Ford MG, Huuskonen JJ, Salt DW.
    J Comput Aided Mol Des; 2001 Aug 01; 15(8):741-52. PubMed ID: 11718478
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  • 18. Neural network modeling for estimation of the aqueous solubility of structurally related drugs.
    Huuskonen J, Salo M, Taskinen J.
    J Pharm Sci; 1997 Apr 01; 86(4):450-4. PubMed ID: 9109047
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  • 20. Prediction of human intestinal absorption by GA feature selection and support vector machine regression.
    Yan A, Wang Z, Cai Z.
    Int J Mol Sci; 2008 Oct 01; 9(10):1961-76. PubMed ID: 19325729
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