ADME Evaluation in Drug Discovery. 2. Prediction of Partition

1516 J. Chem. Inf. Comput. Sci., Vol. 44, No. 4, 2004

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ADME Evaluation in Drug Discovery. 2. Prediction of Partition Coefficient by Atom-Additive Approach Based on Atom-Weighted Solvent Accessible Surface Areas [J. Chem. Inf. Comput. Sci. 43, 1058-1067 (2003)] by T. J. Hou and X. J. Xu*. College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China Two papers reported by Wang et al. give us very important enlightenment to our work. In our work, we cited one of their papers (ref 16), but we missed the other one, which is also important. So here we added this reference listed below. Moreover, the data we used in the training set were obtained from the Lai’s group (http:// mdl.ipc.pku.edu.cn/). We acknowlege Professor Lai and Dr. Wang for bringing to our attention the missing ref 40 and their database. 40. Wang, R. X.; Lai, L. H. Calculating partition coefficient by atom-additive method. Perspect. Drug DiscoV. 2000, 19, 47-66. CI040024F 10.1021/ci040024f Published on Web 07/03/2004