PrologP


BASIC LITERATURE

  • Hansch, C. and Fujita, T., J. Amer. Chem. Soc. 86, 1616 (1964)

  • "The Hydrophobic Fragmental Constant. Its Derivation and Application. A Means of Characterizing Membrane Systems", Rekker, R.F., Elsevier, Amsterdam, (1977)

  • Rekker, R.F., De Kort, H.M., Eur. J. Med. Chem. 14, 479 (1979)

  • "Substituent Constants for Correlation Analysis in Chemistry and Biology", Hansch, C. and Leo, A., Wiley, New York, (1979)

  • Broto, P., Moreau, G., Vandycke, C., Eur. J. Med. Chem. - Chim. Ther., 19, 71 (1984)

  • Ghose, A.K., Crippen, G.M., J.Computat.Chem. 7, 565 (1986)

  • Viswandadhan,V.N., Ghose,A.K., Revankar,G.R., Robins,R.K., J. Chem. Inf. Comput. Sci. 29, 163(1989)

  • "Calculation of Drug Lipophilicity. The Hydrophobic Fragmental Constant Approach", Rekker, R.F., Mannhold, R., VCH, Weinheim, (1992)

  • Leo, A., Chem.Rev. 93, 1281 (1993)

  • "A Neural Network Based Prediction of Octanol-Water Partition Coefficients Using Atomic5 Fragmental Descriptors", László Molnár, György M. Keseru, Ákos Papp, Zsolt Gulyás and Ferenc Darvas, Bioorg. Med. Chem. Lett. 14(4), 851-853, 2004

PAPERS QUOTING

  • "Enantiomeric separation using temperature-responsive chiral polymers composed of -valine diamide derivatives in aqueous liquid chromatography", Kaori Kurata, Toshiaki Shimoyama and Akira Dobashi, Journal of Chromatography A, Volume 1012, Issue 1 , 12 September 2003, Pages 47-56

  • "Prediction of oral drug absorption in humans by theoretical passive absorption model", Obata, K., Sugano, K., Saitoh, R., Higashida, A., Nabuchi, Y., Machida, M., Aso, Y., International Journal of Pharmaceutics Volume 293, Issues 1-2, 11 April 2005, Pages 183-192

  • "Influence of the fragmental systems on calculated logP values - a theoretical investigation using a logic-based expert system, in QSAR in Drug Design and Toxicology", Darvas F., Erdos I., Teglás Gy., Eds. D. Hadzi and B. Jerman-Blazic, Elsevier, Amsterdam, pp. 70 (1987)

  • "Virtual Screening of Molecular Properties: A Comparison of logP Calculators, in Pharmacokinetic Optimization in Drug Research", Y.C.Martin, M.E.Duban, M.G. Bures, J.Delazzer,Official publication of the logP2000 Symposium, VHCA-VCH, Zürich, pp.485 (2000)

  • "The prediction of the lipophilicity of peptidomimetics. A comparison between experimental and theoretical lipophilicity values of renin inhibitors and their building blocks", Karajiannis H and H. van de Waterbeemd, Pharmaceutica Acta Helvetiae Volume 70, Issue 1 , April Pages 67-77 (1995)

  • "Computerized logP prediction using fragment methods", Takácsné NK, Acta Pharm Hung, Jan 68:39-48 (1998)



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