Rule of 5


  • "Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties", Ertl, P., Rohde, B., Selzer, P., J. Med. Chem. 2000, 43, 3714-3717.

  • "Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 1. Prediction of intestinal absorption.", Clark, D.E., J. Pharm. Sci. 1999, 88, 807-814.

  • "Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood-brain barrier penetration", Clark, D.E., J. Pharm. Sci. 1999, 88, 815-821.

  • "Polar molecular surface as a dominating determinant for oral absorption and brain penetration of drugs", Kelder, J., Grootenhuis, P.D.J., Bayada, D.M., Delbressine, L.P.C., Ploemen, J.-P., Pharm. Res. 1999, 16, 1514-1519.

  • "Correlation of human jejunal permeability (in vivo) of drugs with experimentally and theoretically derived parameters. A multivariate data analysis approach", Winiwarter, S., Bonham, N.M., Ax. F., Hallberg, A., Lennernäs, H., Karlén, A., J. Med. Chem. 1998, 41, 4939-4949.

  • "Polar molecular surface properties predict the intestinal absorption of drugs in humans", Palm, K., Stenberg, P., Luthman, K., Artursson, P., Pharm. Res. 1997, 14, 568-571.

  • "Correlation of drug absorption with molecular surface properties", Palm, K., Luthman, K., Ungell, A.-L., Strandlund, G., Artursson P., J. Pharm. Sci. 1996, 85, 32-39.

  • "Estimation of Caco-2 cell permeability using calculated molecular descriptors", Van de Waterbeemd, H., Camenisch, G., Folkers, G., Raevsky, O.A., Quant. Struct.-Act. Relat. 1996, 15, 480-490.



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