Thursday, 9/11/2003
8:30 AM - 4:30 PM  Javits Convention Center  1E21, Oral

CINF

General Papers

Organized by: Osman F. Güner
 

8:30 AM

       

102

 Bias in blocking publications and ways to expose it
Lev Zlatkevich  		 

9:00 AM

       

103

 Model selection strategy and uncertainty analysis for thermodynamic properties of organic compounds
Xinjian Yan Qian Dong, Michael Frenkel		 

9:30 AM

       

104

 XML for chemical information: Educational needs and examples from a student response analysis system
Daniel C. Tofan Troy A. Wolfskill, David Hanson		 

10:00 AM

       

105

 Paper Withdrawn
   		 

10:30 AM

       

106

 Virtual screening using active set dependent optimization of dissimilarity metrics
Miklos Vargyas Zsuzsanna Szabo, Gyorgy Pirok, Ferenc Csizmadia		 

11:00 AM

       

107

 How good is GOLD? An update on validation results, new features and current developments
J. Willem. M. Nissink Jason C. Cole, Simon J. Bowden, Robin Taylor		 

11:30 AM

       

 

 Lunch Break
   		 

1:30 PM

       

108

 Elucidating pharmacophore patterns of drugs that bind to P-glycoprotein
Omoshile O. Clement Zheng Hou, Shikha Varma, Adrea T Mehl		 

2:00 PM

       

109

 Analysis of uncertainty assessments in experimental critical property data
Qian Dong Xinjian Yan, Randolph C. Wilhoit, Xiangrong Hong, Michael Frenkel		 

2:30 PM

       

110

 Paper Withdrawn
   		 

3:00 PM

       

111

 Understanding quantitative structure-property relationships (QSPR) through chemical stoichiometry
Ilie Fishtik Ravindra Datta		 

3:30 PM

       

112

 Enabling technologies in the real world
Ramesh Durvasula  		 

4:00 PM

       

113

 OpenMolGRID, a GRID based system for solving large-scale drug design problems
László Ürge Ákos Papp, István Bágyi, Géza Ambrus-Aikelin, Ferenc Darvas