#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

 

 

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