Wednesday, 9/10/2003
8:00 AM - 12:45 PM  Javits Convention Center   , Oral

COMP

Computational and In Vitro ADME Data: What is it Worth and How to Use It?

Organized by: Peter D.J. Grootenhuis
 

8:00 AM

       

187

 Role of predictive ADME and toxicity modeling in drug discovery
Alan G.E. Wilson  
 

8:45 AM

       

188

 Structural alerts for hepatotoxicity
William J. Egan Marco Pintore, Nadège Piclin, Han van de Waterbeemd
 

9:15 AM

       

189

 Boosting the limits in early ADME prediction
Jacques R. Chretien  
 

9:45 AM

       

190

 Challenges in predictive ADMET: imperfect data in an imperfect world
Stephen R Johnson  
 

10:15 AM

       

191

 Classifying the mutagenicity of two diverse sets of organic compounds using Ames test data for Salmonella typhimurium TA100 and TA98
Brian E. Mattioni Peter C. Jurs, David T. Stanton
 

10:45 AM

       

192

 Development of an in silico predictive protocol for hERG liability
Hongwu Wang Vincent Madison, Xue-Song Zhang, Steve Sorota
 

11:15 AM

       

193

 Using targeted measurements to improve the accuracy of predictions of molecular physical properties
Robert S. DeWitte Eduard Kolovanov
 

11:45 AM

       

194

 The failure of in vitro ADME properties to correctly determine in vivo outcomes
Daniel A. Norris Troy Bremer, Kevin Holme, Glen Leesman, Manish Sud
 

12:15 PM

       

195

 Challenges for in silico modeling of ADME data
Terry R Stouch