| COMP | Sunday, 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 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 Cristian G. Bologa, Marius Olah, Tudor I. Oprea | |
| 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, Barbara Zdrazil, Dominik Kaiser | |
| 4:50 PM | 48 | Encoding 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