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SLIPPER - A new program for water solubility, lipophilicity and permeability prediction
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Raevsky, O.A.; Trepalina, E.P.; Trepalin, S.V. SLIPPER - a new program for water solubility, lipophilicity and permeability prediction. In Molecular Modeling and Prediction of Bioactivity; Gundertofte, K., Jorgensen, F.S., Eds.; Kluwer Academic/Plenum Publishers: New York, Boston, Dordrecht, London, Moscow, 1998; pp 489-490.
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Molecular lipophilicity calculations of chemically heterogeneous chemicals and drugs on the basis of structural similarity and physicochemical parameters
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Raevsky, O.A. Molecular lipophilicity calculations of chemically heterogeneous chemicals and drugs on the basis of structural similarity and physicochemical parameters. SAR QSAR Environ. Res. 2001, 12, 367-381.
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0035470295
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Estimation the water solubilities of crystalline compounds from their chemical structures alone
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McFarland, J.W.; Avdeef, A.; Berger, C.M.; Raevsky, O.A. Estimation the Water Solubilities of Crystalline Compounds from Their Chemical Structures Alone. J. Chem. Inf. Comput. Sci. 2001, 41, 1355-1359.
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0001787043
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Hydrogen bond contributions to properties and activities of chemicals and drugs
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Gundertofte, K., Jorgensen, F.S., Eds.; Kluwer Academic/Plenum Publishers: New York
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Raevsky, O.A.; Schaper, K.-J.; Waterbemd, H. van de; McFarland, J. Hydrogen bond contributions to properties and activities of chemicals and drugs. In Molecular Modelling and Prediction of Bioactivity; Gundertofte, K., Jorgensen, F.S., Eds.; Kluwer Academic/Plenum Publishers: New York, 2000; pp 221-228.
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0032841864
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The correlation and prediction of the solubility of compounds in water using an amended solvation energy relationship
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Abrabam, M.H.; Joelle, L. The correlation and Prediction of the Solubility of Compounds in Water Using an Amended Solvation Energy Relationship. J. Pharm. Sci. 1999, 88, 868-880.
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Quantitative estimation of drug absorption in humans for passively transported compounds on the basis of their physicochemical parameters
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Raevsky, O.; Fetisov, V.; Trepalina, E.; McFarland, J.; Shaper, K. Quantitative estimation of drug absorption in humans for passively transported compounds on the basis of their physicochemical parameters. Quant. Struct.-Act. Relat. 2000, 19, 366-374.
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Quant. Struct.-Act. Relat.
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0011417308
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On a general predictive model for the intestinal absorption of drugs in humans based on the hydrogen bond descriptors and structural similarity
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Raevsky, O.; Schaper, K.; Artursson, P.;McFarland, J. On a General Predictive Model for the Intestinal Absorption of Drugs in Humans based on the Hydrogen Bond Descriptors and Structural Similarity. Quant. Struct.-Act. Relat. In press.
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