References 1. Tingjun Hou, Xiaojie Xu, ADME Evaluation in Drug Discovery. 1. Applications of Genetic Algorithms on the Prediction of Blood-brain Partitioning of a Large Set Drugs from Structurally Derived Descriptors, Journal of Molecular Modeling, 2002, 8 337-349. [PDF] 2. Tingjun Hou, Xiaojie Xu, ADME Evaluation in Drug Discovery. 2. Prediction of Partition Coefficient by Atom-additive Approach Based on Atom-weighted Solvent Accessible Surface Areas, Journal of Chemical Information and Computer Sciences, 2003, 43, 1058-1067. [html] [PDF] 3. Tingjun Hou, Xiaojie Xu, ADME Evaluation in Drug Discovery. 3. Modeling Blood-Brain Barrier Partitioning Using Simple Molecular Descriptors. Journal of Chemical Information and Computer Sciences, 2003, 43, 2137-2152. [html] [PDF] 4. Tingjun Hou, Ke Xia, Wei Zhang, Xiaojie Xu, ADME evaluation in drug discovery. 4. Prediction of aqueous solubility based on atom contribution approach, Journal of Chemical Information and Computer Sciences, 2004, 44, 266-275. [html] [PDF] 5. Tingjun Hou, Wei Zhang, Ke Xia, Xiaojie Xu, ADME evaluation in drug discovery. 5. Correlation of Caco-2 permeation with simple molecular properties, Journal of Chemical Information and Computer Sciences, 2004, 44, 1585-1600. [html] [PDF] 6. Tingjun Hou, Junmei Wang, Wei Zhang, Xiaojie Xu, ADME evaluation in drug discovery. 6. If the oral bioavailability in human can be effectively predicted by simple molecular properties-based rules? Journal of Chemical Information and Modeling, 2007, 47, 460-463. [html] [PDF]. 7. Tingjun Hou, Junmei Wang, Wei Zhang, Xiaojie Xu, ADME evaluation in drug discovery. 7. Prediction of oral absorption by correlation and classification, Journal of Chemical Information and Modeling, 2007, 47, 208-218. [html] [PDF]. 8. Wei Zhang, Tingjun Hou, Xuebin Qiao, Xiaojie Xu, Some basic data structures and algorithms for chemical generic programming, Journal of Chemical Information and Computer Sciences, 2004, 44, 1571-1575. [html] [PDF] 9. Junmei Wang, Wei Wang , Peter A. Kollman, David A. Case, Automatic atom type and bond type perception in molecular mechanical calculations, Journal of Molecular Graphics and Modelling, 2006, 25, 247-266. [html] 10. Tingjun Hou , Junmei Wang, Wei Zhang, Wei Wang, Xiaojie Xu, Recent advances in computational prediction of drug absorption and permeability in drug discovery, Current Medicinal Chemistry, 2006, 13, 2653-2667. [PDF] 11. Junmei Wang, George Krudy, Tingjun Hou, George Holland, Xiaojie Xu, Development of reliable aqueous solubility models and their application in drug-like analysis, Journal of Chemical Information and Modeling, 2007, 47, 1395-1404. [html] [PDF] 12. Tingjun Hou, Junmei Wang, Tingjun Hou, Junmei Wang, ADME evaluation in drug discovery. 8. The prediction of intestinal absorption by support vector machine, Journal of Chemical Information and Modeling, 2007, 47, 2408-2415, [html] [PDF] 13. Tingjun Hou, Junmei Wang, Structure – ADME relationship: still a long way to go? Expert Opinion on Drug Metabolism and Toxicology, 2008, 4, 759-771. [HTML] [PDF] 14. Junmei Wang, Tingjun Hou, Xiaojie Xu, Aqueous solubility prediction based on weighted atom type counts and solvent accessible surface areas, Journal of Chemical Information and Modeling, 2009, 49, 571-581. [HTML] [PDF] 15. Tingjun Hou, Youyong Li, Wei Zhang, Junmei Wang, Recent development of in silico predictions of intestinal absorption and bioavailability, Combinatorial Chemistry & High Throughput Screening, 2009, 12, 497-506. [HTML] [PDF] 16. Junmei Wang, Tingjun Hou, Drug and drug candidate building block analysis, Journal of Chemical Information and Modeling, 2010, 50, 55-67. [HTML] [PDF] home | ADME team | about me | research | publications Hotlinks For any questions or comments regarding this site, feel free to email: admeteam@hotmail.com ©2010 developed by Tingjun Hou, All rights reserved.