#214 Technical Sessions

ACS Chemical Information Division (CINF)
Fall, 1997 ACS National Meeting
Las Vegas (Sept. 8 - 11)


Biotechnology Patent Information
Organized by: A. H. Berks
Presiding: A. H. Berks


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


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.



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


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



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



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



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



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



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