ComputerAssisted Structure Elucidation ACS S y m p o s i u m Series No. 54 Dennis H. Smith, Editor Stanford University School of Medicine A symposium sponsored by the Division of Chemical Information of the American Chemical Society. An up-to-date report on the growing use of computers to assist in the identification of complex unknown molecular structures in the laboratory.
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The collection covers such diverse methodologies as library search techniques, pattern recognition, artificial intelligence programs, automated interpretation of chemical data, structure generation, and ranking of candidate structures based on prediction of chemical or spectroscopic behavior. CONTENTS Structure Identification of U n k n o w n Mass Spectra · C o m p o n e n t s of Complex Mixtures by G C - M S · NIH-EPA Chemical information System Φ Determination of the Secondary Structure of Globular Proteins · Automatically Acquired , 3 C N M R Rules · Computerized Structural Predictions from liC NMR Spectra · Interactive Structure Elucidation · CHEMICS: A C o m p u t e r Program System for Structure Elucidation of Organic C o m p o u n d s · C o m p u t e r Assistance for the Structural Chemist
151 pages (1977) c l o t h b o u n d $15.50 LC 77-24427 ISBN 0-8412-0384-9 SIS/American Chemical Society 1155 16th St., N.W./Wash., D.C. 20036 Please send copies of SS 54 Computer-Assisted Structure EJucidation at $15.50 D Check enclosed for $ D Bill me. Postpaid in U.S. and Canada, plus 40 cents elsewhere. Name
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476 A · ANALYTICAL CHEMISTRY, VOL. 50, NO. 4, APRIL 1978
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