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Applications of artificial intelligence for chemical inference. V.Discussion of the modification of the DENDRAL computer program to extend the program to cyclic structures which exceed numerically the linear molecules of a given composition. IR, NMR and mass spectroscopy is used to develop a method for identification of each of the 27 possible ketones (exclusive of 5 cyclopropanones) of composition C6H10O.
Document ID
19720035832
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Sheikh, Y. M.
Delfino, A. B.
Schroll, G.
Duffield, A. M.
Djerassi, C.
Buchanan, B. G.
Sutherland, G. L.
Feigenbaum, E. A.
Lederberg, J.
(Stanford University Stanford, Calif., United States)
Buchs, A.
Date Acquired
August 6, 2013
Publication Date
January 1, 1970
Publication Information
Publication: Organic Mass Spectrometry
Volume: 4
Subject Category
Chemistry
Accession Number
72A19498
Funding Number(s)
CONTRACT_GRANT: NIH-GM-11309
CONTRACT_GRANT: NGR-05-020-004
CONTRACT_GRANT: ARPA SD-183
CONTRACT_GRANT: NIH-AM-04257
Distribution Limits
Public
Copyright
Other

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