COMPSunday, 13 March 2005

1:20 PM-5:20 PM Convention Center -- Room 4, Oral
Safe Exchange of Chemical Information: Can Relevant Chemical Information be Exchanged Without Disclosing Chemical Structures?
Organizer:Tudor I. Oprea
Organizer, Presiding:Christopher A. Lipinski
1:20 PMIntroductory Remarks
1:30 PMCan topological indices transmit information on properties but not on structures?
Alexandru T. Balaban
2:00 PMCoding and decoding chemical structure information
Johann Gasteiger, Dimitar Hristozov
2:30 PMMolecular shape and electrostatics in the encoding of relevant chemical information
Anthony Nicholls, J. Andrew Grant
3:00 PMIntermission
3:20 PMConfusing descriptors: Where chemical information gets dizzy
Cristian G. Bologa, Marius Olah, Tudor I. Oprea
3:50 PMAnonymous sd (.asd) files
Tim Clark
4:20 PMSimilarity-based descriptors (SIBAR) as tool for exchange of chemical information
Gerhard F. Ecker, Barbara Zdrazil, Dominik Kaiser
4:50 PMEncoding and exchange of chemical information using substructural molecular fragments
Alexandre Varnek, Denis Fourches, Vitaly P. Solov’ev

Symposium Grid -- Division of Computers in Chemistry -- Session Listing

The 229th ACS National Meeting, in San Diego, CA, March 13-17, 2005