Chemical Information Bulletin, Volume 45, Number 3, Summer 1993 Page: 46
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Electronic Notebooks - Industrial/Information
M. K. Landsberg, Presiding
9:00 - Introductory Remarks.
9:05 - 35. Scientific Electronic Notebooks:
Facts and Fallacies, Problems and
Philosophies, Status and Solution....
9:45 - 36. The Use of Electronic Laboratory
Notebooks at Shell Oil Company.......
10:10 - 37. Electronic Laboratory Notebooks:
Big Boon or Big Brother? .. C. Gagne
10:35 - 38. Electronic Project Notebooks at
Pillsbury R&D........... J.B. Tchobanoff
11:15 - 39. Productivity Improvements in Chemical
Research and Development
Using Electronic Notebooks ..............
D. T. Christensen
9:15 - 48.
9:45 - 49.
10:15 - 50.
10:45 - 51.
11:15 - 52.
Training of Research and Development
Chemists in the Use of STN and
MDL Software. ................ W.C. Hauser
Transition to ISISTM: Training Ourselves
to Look to the Future. .............
It Takes More Than Brains-Perspectives
on End-User Searching at 3M.
J.M. Curtis, B.J. Peterson
Cost Effective Searching on STN.......
Scientific End-Users... We Know
You're Out There ......... M.A.S. Palma,
MONDAY, AUGUST 23, 1993
WEDNESDAY AFTERNOON, AUGUST 25, 1993
Electronic Laboratory Notebooks - Patent/Legal
S. P. Schmidt, Presiding
1:30 - 40. Electronic Laboratory Notebooks:
Legal and Procedural Considerations.
.............................. S.P. Schmidt
2:00 - 41. Admissibility and Credibility of Electronic
Records........... R.D. Rochford,
2:30 - 42. FDA Consideration on Electronic
Identification. ............... W.T. Lampkin
3:00 - 43. PTO Considerations on the Efficacy
of Electronic Records. ........................
3:30 - Break.
3:45 - 44. Procedural Considerations for Electronic
Laboratory Notebooks. ............
4:15 - 45. Integrity and Security Considerations
in a Network Environment. ................
4:45 - 46. The Need for Digital Time-Stamping.
THURSDAY MORNING, AUGUST 26, 1993
Chemical Information Instruction for Non-Academic
R. E. Buntrock, Presiding
9:00 - 47. In Search of the Mythic End-User;
Thriving, or an Endangered Species?
1. CHEMICAL STRUCTURE PROCESSING
USING GENETIC ALGORITHMS. Gareth
Jones, Peter Willett, Department of Information
Studies, University of Sheffield,
Western Bank, Sheffield S10 2TN, United
Genetic algorithms (GAs) are becoming widely
recognized as a computationally efficient way of
obtaining good, approximate solutions to combinatorial
optimisation problems. GAs are based
on the fundamental genetic operators of reproduction
and mutation, which are applied to linear
(typically, bit-string) representations of the
specific problem domain. This paper discusses
the application of GAs to the matching of both
2-D and 3-D chemical structures, and summarises
their strengths and weaknesses when used
for this purpose.
2. FLEXIBLE 3D SEARCHING: THE DIRECTED
TWEAK TECHNIQUE. Tad Hurst,
Tripos Associates, 1699 South Hanley
Road, Suite 303, St. Louis, MO 631442913.
Recently 3D searching systems have begun to
address the flexibility of structures. A common
technique is to store or produce a small set of
conformations for each structure to be examined
for matches to the query. This technique does
not adequately address all of conformational
space. Directed Tweak is a new technique
46 CHEMICAL INFORMATION BULLETIN
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American Chemical Society. Division of Chemical Information. Chemical Information Bulletin, Volume 45, Number 3, Summer 1993, periodical, Summer 1993; Philadelphia, Pennsylvania. (https://digital.library.unt.edu/ark:/67531/metadc5647/m1/48/: accessed June 4, 2020), University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu; .