Bibliography

Lipinski, C., et al., ``Experimental and computational appraoches to estimate solubility and permeability in drug discovery and development settings.'', Adv. Drug Deliv. Rev., 23:3, 1997.

2

McGovern S.L., et al., ``A specific mechanism of nonspecific inhibition'', J. Med. Chem., 46:4265-72, 2003;

3

Seidler J., et al., ``Identification and prediction of promiscuous aggregating inhibitors among known drugs'', J. Med. Chem., 46:4477-86, 2003.

4

Oprea, T., ``Property distribution of drug-related chemical databases.'', J. Comput. Aid. Mol. Des., 14:251-264, 2000.

5

Wang, R., Ying, F., and Lai, L., ``A new atom-additive method for calculatin partition coefficients'', J. Chem. Inf. Comput. Sci., 37:615-621, 1997.

6

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

7

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

8

Martin, Y.C., ``A bioavailability score'', J. Med. Chem., 48:3164-3170, 2005.

9

Veber, D.F., Johnson, S.R., Cheng, H.Y., Smith, B.R., Ward, K.W., Kopple, K.D., ``Molecular properties that influence the oral bioavailability of drug candidates'', J. Med. Chem., 45:2615-2623, 2002.

10

Egan, W.J., Merz, K.M., Baldwin, J.J., ``Prediction of drug absorption using multivariate statistics'', J. Med. Chem., 43:3867-3877, 2000.

11

Rishton, G.M., ``Nonleadlikeness and leadlikeness in biochemical screening'', Drug. Disc. Today, 8:86-96 2003.

12

Yalkowsky, S.H., Valvani, S.C., ``Solubility and partitioning 1: Solubility of nonelectorlytes in water'', J. Pharm. Sci. 69:912 1980.

13

J.E.J. Mills and P.M. Dean, ``Three-dimensional hydrogen-bond geometry and probability information from a crystal survey'', J Comput-Aided Mol Des, 10:607, 1996.

14

George A. Jeffrey, An Introduction to Hydrogen Bonding, Oxford University Press, 1997.

15

Wishart, D.S., ``DrugBank: a comprehensive resource for in silico drug discovery and exploration'', Nucleic Acids Res. 1:34 2006.

				FILTER Database preparation Property calculation

				FILTER Database preparation Property calculation