Monday, 3/14/2005
8:30 AM - 4:00 PM  Convention Center   33A, Oral

CINF

Safe Exchange of Chemical Information: Can Relevant Chemical Information be Exchanged Without Disclosing Chemical Structures?

Organized by: Christopher A. Lipinski, Tudor I. Oprea
Presiding: Tudor I. Oprea

8:30 AM

       

 

 Introductory Remarks
   
 

8:40 AM

       

25

 Sharing chemical information without sharing chemical structure
Robert S. Pearlman Lingling Shen, Karl M. Smith, Brian B. Masek
 

9:10 AM

       

26

 How to reveal without revealing
Ruben Abagyan Eugene Raush, Levon Budagyan
 

9:40 AM

       

27

 Reverse engineering chemical structures from molecular descriptors: How many solutions?
Jean-Loup Faulon William M. Brown, Shawn Martin
 

10:10 AM

       

28

 Possibilities for transfer of relevant data without revealing structural information
Omoshile O. Clement Osman F. Güner
 

10:40 AM

       

 

 Intermission
   
 

11:00 AM

 PDF     

29

 Screens as a secure descriptor of chemistry space
Nikolay Osadchiy Sergey Trepalin
 

11:30 AM

 PDF     

30

 Why relevant chemical information cannot be exchanged without disclosing structures
Vladimir V. Poroikov Dmitry Filimonov
 

12:00 PM

       

31

 Are topomers a useful representation for “safe exchange of chemical information”?
Richard D. Cramer  
 

12:30 PM

       

 

 Lunch
   
 

2:00 PM

       

 

 Introductory Remarks
   
 

2:20 PM

 PDF     

40

 Secure statistical analyses on distributed databases
S. Stanley Young Alan Karr, Ashish P. Sanil
 

2:40 PM

 PDF     

41

 Encoding molecular structures as ranks of models: A new, secure way for sharing chemical data and development of ADME/T models
Igor V. Tetko  
 

3:10 PM

       

 

 Panel Discussion