From:	ggv20 (+ at +) cas.org (Gerald Vander Stouw)
Date:	Wed, 3 Feb 93 15:23:29 EST
Subject:	Third International Conference on Chemical Structures

I have posted this previously, but since there was an inquiry
posted earlier today I will take the liberty of doing so again.


	     THIRD INTERNATIONAL CONFERENCE
		 ON CHEMICAL STRUCTURES

		    June 6-10, 1993

	       Leeuwenhorst Congress Center
	     Noordwijkerhout, The Netherlands

Sponsors:

Chemical Structure Association

American Chemical Society Division of
   Chemical Information

Chemistry-Information-Computer Division of
   Gesellschaft Deutscher Chemiker

Royal Netherlands Chemical Society

Royal Society of Chemistry - Chemical
   Information Group


		PROVISIONAL PROGRAM AND
		  REGISTRATION FORM

The International Conference on Chemical Structures brings
together an international group interested in handling chemical
structures and related topics.  Participants discuss research and
development in the processing, storage, retrieval and use of
chemical structures.  The conference fosters cooperation among
organizations and researchers involved with chemical structures
and chemical information.

Program

The conference opens on Sunday evening, June 6, and continues
until noon on Thursday, June 10.  The official conference
language is English.  The main technical program consists of
papers including those listed below.  Included are a poster
session, ample time for informal discussions, and an exhibition
featuring both commercially available software and services and
also software from research projects.

Location and Accommodations

The conference will take place at the Leeuwenhorst Congress
Center, Noordwijkerhout, The Netherlands.  This is a modern,
comprehensive center, easily reached from Schiphol airport and
readily accessible from major European cities by train or
automobile.  The center, near Leiden and approximately
equidistant from Amsterdam and Den Haag, is in a quiet rural
setting only 2 km from the dunes and 4 km from the beach.  There
are a number of recreational facilities available, including
tennis courts, an indoor swimming pool, and bicycle rentals.
Accommodations include single and twin-bedded rooms, each with
its own shower and toilet.  Most rooms have telephones, and some
have a bath as well as a shower.

Organizing
Committee

Dr. Gerald Vander Stouw, Chairman
Chemical Abstracts Service, USA

Dr. John Barnard
BCI Ltd. United Kingdom

Dr. Charles Citroen
CID-TNO, The Netherlands

Dr. Richard Love
American Chemical Society, USA

Dr. Reiner Luckenbach
Beilstein Institute, Germany

Mr. Malcolm Otter
Scientific Information Services, United Kingdom

Dr. Peter Rhodes
RSC Chemical Information Group, United Kingdom



Provisional Program

The keynote address will be delivered by Prof.  Dr.  Ivar Ugi,
Technical University of Muenchen.  The following is a
list of papers that will be presented.  Additional papers may be
selected by the Technical Program Committee.  There will also be
a number of posters presented in poster sessions.

Session 1: Chemical Structure Representation and Search

Thomas Forster, Chemical Concepts,
"Integrated Constitution, Configuration and
Conformation-Sensitive Linkage of Heterogeneous Databases
of Organic Compounds in a Relational Architecture"

George D. Purvis III,
CAChe Scientific,
"An Object-Oriented Model for Molecular Structure
Information"

Martin G. Hicks,
Beilstein Institute,
"Beilstein Current Facts in Chemistry: A Chemical
Information Resource - Not Just More Data"

James J. Nourse,
Molecular Design Ltd.,
"Removal of Arbitrary Limits on Chemical Structure
Databases"

John D. Holliday,
University of Sheffield,
"An Evaluation of the Screening Stages of the Sheffield
Research Project on Computer Storage and Retrieval of
Generic Chemical Structures in Patents"

G. M. Maggiora,
Upjohn Co.,
"An Augmented Ribbon Model of Protein Structure"

Peter Willett et al.,
University of Sheffield,
"Searching for Patterns of Secondary Structures
and Patterns of Residues in the Protein Data Bank
Using Subgraph and Maximal Common Subgraph
Isomorphism"


Session 2: Chemical Reaction Handling

Guenter Grethe, Molecular Design Ltd.,
"Past, Present, and Future of Reaction Indexing"

R. Herges,
University of Erlangen,
"The Discovery of a Novel Class of Reactions
Using Reaction Data Bases"

Z. S. Hippe,
Tech. University Rzeszow (Poland),
"Representation and Searching of Chemical Reactions,
Prediction of Chemical Reaction Products"

A. P. Johnson,
University of Leeds,
"Automatic Extraction of Chemical Information
from the Literature"

C. Jochum,
Beilstein Institute,
"The Beilstein Chemical Information System is not a
Reaction Database, or is it?"

Rainer Moll,
CASAF GmbH,
"Context Description in Synthesis Planning"

Johann Gasteiger,
Institute of Organic Chemistry (Garching, Germany)
"Automatic Hierarchical Classification of Chemical Reactions"


Session 3:  Processing of Chemical Structure Information

C. Marshall,
University of Leeds,
"Grouping Chemical Structures by Common Core"

William Fisanick,
Chemical Abstracts Service,
"Similarity Searching on CAS Registry Substances"

David W. Elrod,
Upjohn Co.,
"Computational Neural Networks as Model Free Mapping Devices
for QSAR and QSPR"

Ernest Robb,
Stevens Institute of Technology,
"Infrared Spectrum Simulation Using a Neural Network"

Bjorn Hansen,
Environment Institute (Ispra, Italy),
"Correlation Analysis on a Clustering of the
EINECS Inventory"

Howard Lentzner,
Lawrence Livermore National Laboratory,
"A Systematic Method for Using Structural and
Numeric Databases to Choose Compounds of Potentially
High Nonlinear Optical Susceptibility"

Philip N. Judson,
University of Leeds,
"Rule Induction for Expert Systems Predicting
Biological Activity"


Session 4: 3-D Chemical Structure Handling

Tom Moock,
Molecular Design Ltd.,
"Conformational Searching in ISIS 3D Databases"

Peter Willett et al.,
University of Sheffield,
"Substructure Searching Algorithms for Searching
Databases of Conformationally Flexible Structures"

Tad Hurst,
Tripos Associates,
"Flexible 3-D Searching: The Directed Tweak Technique"

V. J. van Geerestein,
Organon International,
"3-D Shape Similarity Ranking in Combination
with Conformationally Flexible
Pharmacophore Searching"

Mark G. Bures,
Abbott Laboratories,
"New Molecular Modeling Tools Using Three-Dimensional
Chemical Substructures"

Valerie A. Gillet,
University of Leeds,
"A Program for de novo Structure Generation"


Registration

Name (Dr/Mr/Mrs/Miss/Ms) _______________________________

Organization   _________________________________________

Address  _______________________________________________

	 _______________________________________________

	 _______________________________________________

Telephone ______________________________________________

Job Title ______________________________________________

Conference Fee (including meals, proceedings,
issue of JCICS, excursion, conference dinner,
registration), Dfl. 950                           ______

Room Fees

Standard single room with shower
(some have telephones), Dfl. 300                  ______

Larger single room with bath and
telephone, Dfl. 450                               ______

Companion Fees
(includes breakfasts, dinners, excursion, conference
dinner, and room surcharge for double occupancy)

Name of companion   ____________________________

Standard room, Dfl. 650                           ______

Larger room, Dfl. 750                             ______

Total Conference Fee                              ______

Discount for registering by 1 March, Dfl. 100     ______

Total                                             ______

You will be invoiced for the amount due unless
you fill in the credit card detail below.

American Express ___    Master Card ____

Name as it appears on credit card

_____________________________________

Card number  ________________________


Expiration date  ___________

Signature  __________________________

Date  ___________________

Extra nights accommodation are available on request.

Registration forms should be sent to:

Charles L. Citroen
CID-TNO
P. O. Box 6043
2600 JA Delft
The Netherlands

FAX number for registrations:

Dr. Charles Citroen at 31 15 560825



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