#214 Technical Sessions
ACS Chemical Information Division (CINF)
Fall, 1997 ACS National Meeting
Las Vegas (Sept. 8 - 11)
MONDAY AM / PM
| Biotechnology Patent Information | ||
|---|---|---|
|
Organized by: A. H. Berks Presiding: A. H. Berks |
||
| 8:30 |
|
Introductory Remarks |
| 8:45 | 1 |
The challenge of biotech patent searching. A. Shanler Abstract |
| 9:15 | 2 |
Searching for prior art - A collaboration between researchers and information specialists. R. Diaz Abstract |
| 9:45 |
3 |
Finding and evaluating on-line patent information in the biotechnical arts: Case study, the polymerase chain reaction. R. Snead Abstract |
| 10:15 | 4 |
Sequence submissions and sequence searching for biotechnology patent applications. A. Shah Abstract |
| 10:45 | 5 |
Biosequence data in patents. Processing, retrieval, and dissemination. The practice at the EPO. J. A. Descamps Abstract |
| 11:15 | Lunch Break. | |
| 2:00 | 13 |
Cloning Dolly and beyond. E. Tsevdos Abstract |
| 2:30 | 14 |
Derwent - a unique source of value added biotechnology patent information. R. V. Buckley, Y. Kim, J. D. Myers Abstract |
| 3:00 | 15 |
Challenges in providing biotechnology patent information. K. G. Stanley, B. M. Benjamin, K. S. Dunwoody Abstract |
| 3:30 | 16 |
Statistical analyses of international patent data in biotechnology. R. G. Kolar Abstract |
| 4:00 | CINF Business Meeting | |
| 4:15 | Intermission | |
| 4:30 | Joint Board/Council Committee on CAS concurrent with Society Committee on Publications open meeting. | |
MONDAY AM / PM
| Reaction Databases: Content and Applications | ||
|---|---|---|
|
Organized by: G. Grethe Presiding: G. Grethe |
||
| 8:30 | 6 |
Increasing the potential of chemical reaction databases as valued information resources for chemists J. Hayward Abstract |
| 9:00 | 7 |
Using the biocatalysis database from Synopsys M. D. Grim Abstract |
| 9:30 |
8 |
The evolution of reaction retrieval in synthesis planning and its future in high throughput discovery R. W. Snyder, G. Grethe, and D. Hounshell Abstract |
| 10:00 | 9 |
Reaction searching with RXL Browser for synthesis planning. S-S. Tseng Abstract |
| 10:30 | 10 |
Using the ISISBase/RXL Browser to locate information about chemical transformations U. Iserloh Abstract |
| 11:00 | 11 |
Chemical reaction databases from the Institute for Scientific Information. M. Clark, N. S. Kopelev Abstract |
| 11:30 | 12 |
Derwent's reaction service - Fifty years of reaction information. D. G. Penn, U. E. Whelan Abstract |
| 12:00 | Lunch Break. | |
| 2:00 | 17 |
Practical uses of large reaction databases K. P. Cross, B. P. Cannan, G. J. Myatt Abstract |
| 2:30 | 18 |
Applications of Daylight reaction-processing tools to chemical information problems J. J. Delany III Abstract |
| 3:00 | 19 |
Novel reaction database search engine using reaction types. B. Rohde Abstract |
| 3:30 | 20 |
Automatic derivation of rules and knowledge for reaction prediction using reaction database. H. Satoh, K. Funatsu, T. Nakata Abstract |
MONDAY EVENING
| Sci-Mix | ||
|---|---|---|
| C. Gragg, Organizer, Presiding | ||
| 7:00 - 9:00 | ||
| 23 |
The synthetic chemist's periodic table. O. B. Ramsay, D. P. Ryan, W. V. Metanomski Abstract |
|
| 22 |
The multicolored arrows: Chromatic aspects of the signal flow diagram. B. S. Tice Abstract |
|
| 21 |
On-line searching for enzymes and proteins. J. H. Wittorf Abstract |
|
TUESDAY AM / PM
| Skolnik Award Symposium | ||
|---|---|---|
| J. Gasteiger, Organizer, Presiding | ||
| 8:30 | 24 |
Making the computer understand chemistry J. Gasteiger Abstract |
| 9:00 | 25 |
From chemical distance to CrossFire: How a Ph. D. thesis can affect a career. C. Jochum Abstract |
| 9:30 | 26 |
Creation of 'Super Chemist' by using computers in chemical industry I. Dohgane, Kazumi Yuki Abstract |
| 10:00 | 27 |
Areas where error back-propagation and Kohonen networks touch. J. Zupan Abstract |
| 10:30 | 28 |
Multidimensional NMR with neural networks. D. Ziessow, P. Arlt, M. Sielaff, C. Tegeler Abstract |
| 11:00 | 29 |
Evaluation of high-throughput screening hits by means of Kohonen neural networks G. Barnickel, S. Anzali Abstract |
| 11:30 | Society Committee on Copyrights Open Meeting | |
| 12:00 | Lunch Break | |
| 2:00 | 30 |
Chemists and computers: concord or discord? V. J. van GeeresteinAbstract |
| 2:30 | 31 |
Prediction of chemical properties of organic compounds from molecular structure P. C. Jurs Abstract |
| 3:00 | 32 |
Database searching using molecular fields P. Willett, D. J. Wild Abstract |
| 3:30 | 33 |
Chemical information and robotics in the analytical spectroscopy lab. J. R. Richert Abstract |
| 4:00 | 34 |
SESAMI: An integrated desktop structure elucidation tool. M. E. Munk, M. Madison, K. P. Schulz, A. Korytko, Y. Huang Abstract |
| 4:30 | 35 |
Generation of refined PLS models by automatic annihilation of variables. M. Marsili Abstract |
| 5:00 | 36 |
Electronic Chemistry Journals for the 21st Century. Stephen R. Heller Abstract |
| 5:30 | 37 |
MJOLLNIR-II -- A chemical informatics server for the internet. D. Weininger Abstract |
WEDNESDAY AM / PM
| Skolnik Award Symposium | ||
|---|---|---|
| J. Gasteiger, Organizer, Presiding | ||
| 8:30 | 38 |
The synthesis planning in AIPHOS - Recent development. K. Funatsu, H. Yoshino Abstract |
| 9:00 | 39 |
Electronic information for organic synthesis - how to make the best use of it. G. Grethe, D. Hounshell, R. W. Snyder Abstract |
| 9:30 | 40 |
Browsing in reaction databases: Creating order out of chaos. J. R. Rose Abstract |
| 10:00 | 41 |
Interactive and complex visualization of chemical reaction schemes. R. Deplanque Abstract |
| 10:30 | 42 |
Software to aid in drug design, synthesis, and evaluation W. L. Jorgensen Abstract |
| 11:00 | 43 |
The confluence of rational and combinatorial design methodologies. S. D. Kahn Abstract |
| 11:30 | 44 |
Computer-aided drug design: Current state and future perspectives. H. Kubinyi, H. J. Boehm Abstract |
| 12:00 | Lunch Break | |
| 1:30 | 45 |
A field-based approach to molecular similarity with applications to small molecules and proteins G. M. Maggiora, J. Mestres, D. C. Rohrer Abstract |
| 2:00 | 46 |
Descriptors that outperform substructures in diversity analysis. Y. C. Martin, R. D. Brown, E. A. Danaher, J. DeLazzer, I. Lico Abstract |
| 2:30 | 47 |
Pharmacophores in Drug Discovery. G. W. A. Milne, S. Wang, M. C. Nicklaus Abstract |
| 3:00 | 48 |
Molecular similarity using two-dimensional representations of structures. W. G. Richards, D. D. Robinson Abstract |
| 3:30 | 49 |
3D Structures and the bioinformatics revolution D. H. Smith Abstract |
| 4:00 | 50 |
Challenges and progress in structure-based ligand design. A. P. Johnson Abstract |
| 4:30 | 51 |
Second generation de novo drug design methodology. W. T. Wipke. Brian Goldman, Michael Kappler, Brett Kislin, John Lawton, Jim Arnold Abstract |
| 5:00 | 52 |
De novo screening - A search method for the discovery of novel ligands. P. W. Rose, T. J. Marrone Abstract |
| 5:30 | 53 |
Years living with molecular topology. J-E. Dubois Abstract |
THURSDAY MORNING
| Electronic Notebooks and INTRANETS | ||
|---|---|---|
| R. Lysakowski, Organizer, Presiding | ||
| 8:30 | 54 |
Driving creation and acceptance for collaborative electronic notebooks. R. Lysakowski Abstract |
| 9:00 | 55 |
DOE2000 electronic notebook architecture. N. M. Nachtigal, G. A. Geist, J. D. Myers, S. R. Sachs Abstract |
| 9:30 | 56 |
Electronic notebooks freedom & power. P. A. Lofty Abstract |
| 10:00 | 57 |
The EMSL publisher: A new tool for collaborative and distributed journal authoring. C. I. Parkinson, D. B. Rex, R. A. Bair Abstract |
| 10:30 | 58 |
Chemsymphony: A tool for publishing using HTML and on the WWW. P. Tebbutt, A. Hodgkin, A. Kassavine Abstract |
| 11:00 | 59 |
What the FDA's final rule on electronic signatures and electronic records means to designers and users of automation systems. R. Lysakowski Abstract |
THURSDAY AFTERNOON
| General Papers | ||
|---|---|---|
| C. Gragg, Organizer, Presiding | ||
| 1:30 | 60 |
Searching the Beilstein bibliographic file on the internet: the NetFire system. J. L. Wisniewski Abstract |
| 1:50 | 61 |
Reengineering a corporate chemical information system using the latest client/server technologies: A chemist/end-user approach P. Perraudin Abstract |
| 2:10 | 62 |
The Derwent crop protection file, a valuable underutilized source of pesticide information. J. D. Myers, M. D. Bauer Abstract |
| 2:30 | 63 |
The Merck Index: Assessing usage patterns and impact on scientific communication through citation analysis. S. Budavari Abstract |
| 2:50 | 64 |
SLIMS: A spectral laboratory information management system based on web technology. A. J. Williams, A. Petrauskas, P. Jurgutis, D. Ross, V. Kulkov Abstract |
| 3:10 | 65 |
Internet access to genetic sequence databases. D. R. Jourdan Abstract |
| 3:30 | 66 |
Comparing diversity selection methods against random selection. T. Hurst Abstract |
| 3:50 | 67 |
Secondary research based on the technical literature: The time factor. M. P. Bigwood Abstract |
