CINFWednesday, August 25, 2004

1:30 PM-5:00 PM Pennsylvania Convention Center -- 110A&B, Oral
Advances in Virtual High-Throughput Screening
Property-Based Screening
Organizer, Presiding:Osman F. GŁner
1:30 PM Beyond the limits in early ADME prediction to boost v-HTS
Jacques R. Chretien, Han van de Waterbeemd, Nadege Piclin, Christophe Wechman, Marco Pintore
2:00 PM Improving the workflow and accuracy of in silico ADME/Tox prediction
Gregory M. Banik, Michelle D'Souza
2:30 PM Classpharmer and the quest for privileged substructures
Dora Schnur, Mark A. Hermsmeier
3:00 PM Chemometric approaches to virtual screening
Alexander Tropsha, Scott Oloff, Shuxing Zhang, Min Shen
3:30 PM Functional group fingerprints: Augmenting hit and lead identification
James R. Arnold, Charles L. Lerman, James R. Damewood
4:00 PM Steric multiplet fingerprints as screens in high-throughput screening
Essam Metwally, Robert Clark, Peter C. Fox
4:30 PM From gene to lead: In silico warfare on the West Nile virus
Luke S. Fisher, Dana Haley-Vicente, Anne Marie Quinn

Previous Session -- Advances in Virtual High-Throughput Screening -- Next Session

Symposium Grid -- Division of Chemical Information -- Session Listing

The 228th ACS National Meeting, in Philadelphia, PA, August 22-26, 2004