#216 Technical Program

ACS Chemical Information Division (CINF)
Fall, 1998 ACS National Meeting
Boston, MA (August 23-27)


Marriott Copley Place, Salon C, 4th Floor

Interfacing Robotics and Laboratory Automation
R. W. Snyder, Organizer, Presiding
9:00 1 Robotics, computers, and biochemistry: automation and the drug discovery process.
M. N. Feiglin Abstract
9:30 2 Advances in automation that make the sorting of 10,000 SPOS microreactors routine.
A. W. Czarnik Abstract
10:00 3 Leveraging research informatics: bridging the automation information gap.
D. Kniaz . Abstract
10:30 4 Synthesizing robot programs from descriptions of combinatorial libraries.
D. Chapman, J. Handler Abstract
11:00 5 Visual environments for collaborative drug discovery.
C. Ahlberg Abstract
11:30   Lunch Break
2:00 6 Synthesis on a chip.
Sheila H. DeWitt, William Chiang, Yue Chen, Timothy Hamilton, Sean Kelley, Jack Leber, Sterling McBride, Richard Moroney, Kerry O'Mara. Abstract
2:30 7 Reagent selector: a new tool for high throughput synthesis.
Maurizio Bronzetti, Al J. Gushurst, Doug R. Henry, and Robert W. Snyder Abstract
3:00 8 Integration of informatics with a robotics synthesis laboratory.
K.I. Heuer, D. L. Flynn, J. F. GawAbstract
3:30 9 Automating data analysis for high throughput screening.
Susan I. Bassett, John W. Elling Abstract
4:00 10 High throughput: the hidden bottlenecks.
R. Niesen Abstract



Marriott Copley Place Salon C, 4th Floor

TriSociety Symposium
B. Slutsky, Organizer, Presiding


Introductory Remarks
Bruce Slutsky


How the Web may change the way science librarians are trained in graduate schools of library and information science.
Tony Stankus Abstract


The CINF Web site.
Andrea B. Twiss-Brooks Abstract
9:30 13 ChemCenter: The ACS guide to navigating chemistry online.
Louise Voress, Sarah W. Nash, and David A. Koran Abstract
10:00 14 Weaving the Web into the CAS product line.
Jan Williams Abstract


The ISI Web of science.
Matthew Clark Abstract
11:00 16 ACD/ILab as a universal Web front-end to chemical information resources
Valeri Kulkov, Antony Williams Abstract
11:30   Lunch Break
2:00 17 The NIST WebBook - A simple tool for chemical data access.
W. Gary Mallard, Peter J. Linstron Abstract
2:30 18 Providing links between secondary and primary electronic literature.
S.J. Young, W.D. Hounshell, M.A. Duda, E.V. Gordeeva Abstract
3:00 19 Do chemists need clubs or communities on the Web?
Wendy A. Warr Abstract
3:30 20 ChemWeb - The world wide club for the chemical community.
William G.Town Abstract
4:00   CINF Business Meeting
4:15   Intermission
4:30   Concurrent Open Meetings for Society Committees on Publications and CAS



Convention Center Exhibit Hall B, Plaza Level

C. Gragg, Presiding
7:00 - 9:00
  22 Dental patent literature
P. F. Kulkosky Abstract
  21 Spatial perception of real vs. unreal molecular models using virtual 3-depth enhancement.
B. Ramsay,W. J. O'Neill,C. O'Neill,W. V. Metanomski Abstract



Marriott Copley Place Salon C, 4th Floor,

Skolnik Award Symposium on Electronic Publishing
G. D. Wiggins, Organizer, Presiding
8:30   Introductory Remarks
8:45 23 Award Address - A PEAK at 25 years of an academic chemistry librarian's career (in B Major).
G. D. WigginsAbstract
9:30 24 New methods of communication amongst chemists.
Wendy A. Warr Abstract
10:00 25 Current issues in electronic publishing: the HighWire Press perspective.
Michael Newman Abstract
10:30 26 Emerging trends in electronic full text delivery
Eileen M. Shanbrom Abstract
11:00 27 Dream on: visions of academic access in an era of integrated chemical information systems.
Ken Rouse, Katherine R. Porter Abstract
12:00 28 CINF Luncheon: "A two-hundred-year perspective on CINF on the occasion of its fiftieth birthday."
Mary E. Bowden, Leo B. Slater Abstract
2:00 29 Developing E-collections: It's not the years, it's the internet mileage.
Kimberly J. Parker Abstract
2:30 30 Electronic journals in the academic library: issues of copyright and plagiarism.
Veronica Calderhead Abstract
3:00 31 Doctoral dissertations graduate to the Web: new applications and implications for scholarly research.
B. Lawlor Abstract
3:30 32 Technical challenges in producing ACS journals on the World Wide Web.
Lorrin R. Garson Abstract
4:00 33 The complete chemical E-publication.
Peter Murray-Rust Abstract
4:30 34 Databases - the journals for the new millenium.
Stephen R, Heller Abstract
5:00   Concluding Remarks
Gary Wiggins, Skolnik Awardee



Section A
Marriott Copley Place, Salon C, 4th Floor


Competitive Intelligence: Sources and Applications
T. Wright, Organizer, Presiding
8:30 35 Collecting human intelligence.
J. Michael French, Anthony M. Page Abstract
9:00 36 Competitive Intelligence gathering and analysis in biotechnology.
Aris Persidis Abstract
9:30 37 Providing effective early warning.
Anthony Page Abstract
10:00 38 Use of commercial information sources in the pharmaceutical area for competitor intelligence.
Alexander Mullen, Martin Blunck, Klaus Eike Moeller, Hans-Georg Rohbeck Abstract
10:30 39 Patent analysis in the pharmaceutical industry.
Robert Cantrell Abstract
11:00 40 Using federal trademark applications for competitive intelligence.
Karen Luszcz Abstract



Section B
Marriott Copley Place, Provincetown/Orleans, 4th Floor

Materials Science Informatics:Databases for Materials Design
J. Rumble, Organizer, Presiding
8:30 41 An integrated database approach to materials design.
John Rumble, Jr. Abstract
9:00 42 Crystallographic data for non-organic materials.
Vicky L. Karen Abstract
9:30 43 Surface structure data and materials design.
Philip R. Watson Abstract
10:00 44 Computing macroscopic properties from microstructures of materials.
W. Craig Carter Abstract
10:30 45 Databases for advanced ceramics design and use.
Stanley Dapkunas Abstract
11:00 46 Materials databases for advanced performance.
David Rose Abstract



Marriott Copley Place, Salon C, 4th Floor

Chemical Information on Intranets
A. Berks, Organizer, Presiding
2:00 47 Developing chemistry-enabled Web applications using Accord.
G. A. Hopkinson, A. P. F. Cook, J. G. LittlerAbstract
2:30 48 The challenge of using extranets to improve data accessibility - the Derwent perspective.
Jan Kuras, Tim Miller Abstract
3:00 49 ColbyChem: a Web server for ISIS/Host.
John W. Kuehne, Thomas W. Shattuck Abstract
3:30 50 Turning information into innovation: 3M Information Services Web site.
John D. Arenivar, Carol E. Herzberg, Sharon M. Peterson Abstract
4:00 51 Web-based productivity tools for chemists: WebLab(TM) MedChem and Diversity Explorer.
Robert D Brown, Osman F Güner, Matt Hahn, Hong Li Abstract
4:30 52 Parallel synthesis data handling via the Web.
David S. Nunn Abstract



Marriott Copley Place, Salon C, 4th Floor

Recent Applications of 3D Databases
O. F. Güner, Organizer, Presiding
8:30 53 Exploiting receptor binding site using pharmacophore descriptors
C. J. Luttmann Abstract
9:00 54 Computational 3D searching and combinatorial chemistry combine to discover novel cyclooxygenase-2 inhibitor.
K. D. Stewart, L. Frey, E. Otis, V. Klinghofer, K. I. Hulkower, S. Loren Abstract
9:30 55 New developments in pharmacophore model generation and in 3D searching.
Jon M. Sutter, Osman Güner, Hong Li, Marvin Waldman Abstract
10:00 56 Virtual high-throughput screening - an application of partial match 3D searching.
Trevor W. Heritage Abstract
10:30 57 Parallel screening of HMG-CoA reductase inhibitors with Catalyst(TM).
David Jourand, Remy Hoffmann Abstract



Marriott Copley Place, Salon C, 4th Floor

General Papers
C. Gragg, Organizer, Presiding
1:30 58 How electronic journals will change the way chemistry professors use the chemical literature.
S. A. Koch Abstract
1:50 59 Publishing chemical information on the Web to support researcher buying decisions and chemical commerce.
T. Graber Abstract
2:10 60 The central chemical registry system at the Environmental Protection Agency.
Tommie G. Curtis, Lois Fritts Abstract
2:30 61 Reinventing chemical information at the Environmental Protection Agency.
Lois E. Fritts, Tommie G. Curtis Abstract
2:50 62 Automatic classification of organic reactions - classification of reagents based on electronic and steric features of the three-dimensional molecular field.
Hiroko Satoh, Sachiko Itono, Kimito Funatsu, Keiko Takano, Tadashi Nakata Abstract
3:10 63 AUncertainty analysis of reaction models based on the deterministic equivalent modeling method.
C. Wang, M. A. Tatang, and G. J. McRae Abstract
3:30 64 ASLIMS: Sample, structure and spectral laboratory information management system with Web interface.
Antony Williams, Valeri Kulkov Abstract
3:50 65 Sharing a core chemical sciences collection among research libraries.
E. Jargo, E.R. Lorbeer Abstract