Expert System Applications in Chemistry - ACS Publications

Downloaded by 80.82.77.83 on January 4, 2018 | http://pubs.acs.org Publication Date: September 1, 1989 | doi: 10.1021/bk-1989-0408.fw001

Expert System Applications in Chemistry

Hohne and Pierce; Expert System Applications in Chemistry ACS Symposium Series; American Chemical Society: Washington, DC, 1989.



ACS

SYMPOSIUM

SERIES

408


Expert System Applications in Chemistry Bruce A . Hohne, EDITOR Rohm and Haas Company Thomas H . Pierce, EDITOR Rohm and Haas Company

Developed from a symposium sponsored by the Division of Computers in Chemistry at the 196th National Meeting of the American Chemical Society, Los Angeles, California, September 25-30,1988

American Chemical Society, Washington, DC 1989


Library of Congress Cataloging-in-Publication Data


Expert system applications in chemistry Bruce A. H o h n e , editor, Thomas H. Pierce, editor p.

c m . — ( A C S Symposium Series, 0097-6156; 365).

Developed from a symposium sponsored by the Division of Computers in Chemistry at the 196nd National Meeting of the American Chemical Society, L o s Angeles, California, September 2 5 - 3 0 , 1988. Includes bibliographical references. ISBN 0-8412-1681-9 1. Chemistry—Data processing—Congresses. systems—Congresses.

2. Expert

I. H o h n e , Bruce A., 1 9 5 4 . 1. II. Pierce, Thomas H . , 1952. 2. III. American Chemical Society. Division of Computers in Chemistry. I V . American Chemical Society. Meeting (196th: 1988: L o s Angeles, Calif.). V . Series QD39.3.E46E96 540'.285'633— dc20

1989 89-35271

CIP

Copyright ©1989 American Chemical Society All Rights Reserved. The appearance of the code at the bottom of the first page of each chapter in this volume indicates the copyright owner's consent that reprograpnic copies of the chapter may be made for personal o r internal use o r for the personal o r internal use of specific clients. This consent is given on the condition, however, that the copier pay the stated per-copy fee through the Copyright Clearance Center, Inc., 27 Congress Street, Salem, MA 01970, for copying beyond that permitted by Sections 107 o r 108 of the U . S . Copyright Law. This consent does not extend to copying o r transmission by any means—graphic o r electronic—for any other purpose, such as for general distribution, for advertising o r promotional purposes, f o r creating a new collective work, for resale, o r for information storage and retrieval systems. The copying fee for each chapter is indicated in the code at the bottom of the first page of the chapter. The citation of trade names and/or names of manufacturers in this publication is not to be construed as an endorsement o r as approval by A C S of the commercial products o r services referenced herein; nor should the mere reference herein to any drawing, specification, chemical process, o r other data be regarded as a license o r as a conveyance of any right o r permission to the holder, reader, o r any other person o r corporation, to manufacture, reproduce, use, or sell any patented invention o r copyrighted work that may in any way be related thereto. Registered names, trademarks, etc., used in this publication, even without specific indication thereof, are not to be considered unprotected by law. P R I N T E D I N THE UNITED S T A T E S

OF

AMERICA


ACS Symposium Series M . Joan Comstock, Series Editor


1989 ACS Books Advisory Board Paul S. Anderson Merck Sharp & Dohme Research Laboratories

M a r y A. K a i s e r E. I. du Pont de Nemours and Company

A l e x i s T. B e l l University of California—Berkeley

M i c h a e l R. L a d i s c h Purdue University

H a r v e y W. B l a n c h University of California—Berkeley Malcolm H . Chisholm Indiana University Alan Elzerman Clemson University John W. F i n l e y Nabisco Brands, Inc. Natalie Foster Lehigh University M a r y e A n n e Fox The University of Texas—Austin G . Wayne Ivie U.S. Department of Agriculture, Agricultural Research Service

John L. M a s s i n g i l l Dow Chemical Company D a n i e l M. Q u i n n University of Iowa James C . R a n d a l l Exxon Chemical Company E l s a Reichmanis AT&T Bell Laboratories C . M. R o l a n d U.S. Naval Research Laboratory Stephen A . Szabo Conoco Inc. Wendy A. W a r r Imperial Chemical Industries Robert A. Weiss University of Connecticut



Foreword The A C S SYMPOSIUM SERIES was founded in 1974 to provide a medium for publishing symposia quickly in book form. The format of the Series parallels that of the continuing ADVANCES IN CHEMISTRY SERIES except that, in order to save time, the papers are not typeset but are reproduced as they are submitted by the authors in camera-ready form. Papers are reviewed under the supervision of the Editors with the assistance of the Series Advisory Board and are selected to maintain the integrity of the symposia; however, verbatim reproductions of previously published papers are not accepted. Both reviews and reports of research are acceptable, because symposia may embrace both types of presentation.


Expert System Applications in Chemistry - ACS Publications

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