Sunday, 3/13/2005
1:20 PM - 5:20 PM  Convention Center   4, Oral

COMP

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

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

1:20 PM

       

 

 Introductory Remarks
   		 

1:30 PM

       

42

 Can topological indices transmit information on properties but not on structures?
Alexandru T. Balaban  		 

2:00 PM

       

43

 Coding and decoding chemical structure information
Johann Gasteiger Dimitar Hristozov		 

2:30 PM

       

44

 Molecular shape and electrostatics in the encoding of relevant chemical information
Anthony Nicholls J. Andrew Grant		 

3:00 PM

       

 

 Intermission
   		 

3:20 PM

       

45

 Confusing descriptors: Where chemical information gets dizzy
Tudor I. Oprea Cristian G. Bologa, Marius Olah		 

3:50 PM

       

46

 Anonymous sd (.asd) files
Tim Clark  		 

4:20 PM

       

47

 Similarity-based descriptors (SIBAR) as tool for exchange of chemical information
Gerhard F. Ecker  		 

4:50 PM

       

48

 Encoding and exchange of chemical information using substructural molecular fragments
Alexandre Varnek Denis Fourches, Vitaly P. Solov’ev