Baell, J. and Holloway, G.A.,
New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays,
Journal of Medicinal Chemistry, Vol 53, pp. 2719-2740, 2010
Egan, W.J., Merz, K.M. and Baldwin, J.J.,
Prediction of Drug Absorption Using Multivariate Statistics,
Journal of Medicinal Chemistry, Vol. 43, pp. 3867-3877, 2000
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 Prediction of Drug Transport Properties,
Journal of Medicinal Chemistry, Vol. 43, pp. 3714-3717, 2000
Jeffrey, George A.,
An Introduction to Hydrogen Bonding,
Oxford University Press,
Lipinski, C.A., Lombardo, F., Dominy, B.W. and Feeney, P.J.,
Experimental and Computational Approaches to Estimate Solubility and Permeability in Drug Discovery and Development Settings,
Advanced Drug Delivery Reviews, Vol. 23, pp. 3-25, 1997
Lovering, F., Bikker, J. and Humblet, C.,
Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success,
Journal of Medicinal Chemistry, 52 (21):6752-6756
Martin, Y.C.,
A Bioavailability Score,
Journal of Medicinal Chemistry, Vol. 48, pp. 3164-3170, 2005
McGovern S.L., Helfand, B.T., Feng, B. and Shoichet, B.K.,
A Specific Mechanism of Nonspecific Inhibition,
Journal of Medicinal Chemistry, Vol. 46, pp. 4265-4272, 2003
Mills, J.E.J and Dean, P.M.,
Three-Dimensional Hydrogen-Bond Geometry and Probability Information from a Crystal Survey,
Journal of Computer-Aided Molecular Design, Vol. 10, pp. 607-622, 1996
Oprea, T.,
Property Distribution of Drug-Related Chemical Databases,
Journal of Computer-Aided Molecular Design, Vol. 14, pp. 251-264, 2000
Ritchie, Timothy J. and Macdonald, Simon J.F.,
The impact of aromatic ring count on compound developability - are too many aromatic rings a liability in drug design?,
Drug Discovery Today, 14(21):1011
Seidler J., McGovern, S.L., Doman, T.N. and Shoichet, B.K.,
Identification and Prediction of Promiscuous Aggregating Inhibitors Among Known Drugs,
Journal of Medicinal Chemistry, Vol. 46, pp. 4477-4486, 2003
Veber, D.F., Johnson, S.R., Cheng, H.Y., Smith, B.R., Ward, K.W. and Kopple, K.D.,
Molecular Properties that Influence the Oral Bioavailability of Drug Candidates,
Journal of Medicinal Chemistry, Vol. 45, pp. 2615-2623, 2002
Wang, R., Ying, F., and Lai, L.,
A New Atom-Additive Method for Calculating Partition Coefficients,
Journal of Chemical Information and Computer Science, Vol. 37, pp. 615-621, 1997
Yalkowsky, S.H. and Valvani, S.C.,
Solubility and Partitioning 1: Solubility of Nonelectrolytes in Water,
Journal of Pharmaceutical Sciences, Vol. 69, pp. 912-922, 1980