DOI: 10.1002/recl.19921110610. Generalization and representation of synthesis pathways in the COSYMA system

Generalization and representation of synthesis pathways in the COSYMA system

10.1002/recl.19921110610

Crossref journal-article

Wiley

Recueil des Travaux Chimiques des Pays-Bas (311)

Abstract

AbstractA new approach of computer‐assisted design of organic synthesis is proposed with the COSYMA system. It is based on the similarity between the target molecule and an intermediate or the final product of a well‐known synthesis pathway. Similarity between two molecules is defined as equality of the structures obtained by applying generalization rules to these two molecules. Similarity criteria are described, and associated generalization rules expressed. A new internal representation of synthesis pathways is also described, which fits COSYMA requirements, and consists of time‐independent structural and temporal parts. The temporal part describes variations of atom connectivity in the different synthesis steps.

Bibliography

Hamm, P., Jauffret, P., & Kaufmann, G. (1992). Generalization and representation of synthesis pathways in the COSYMA system. Recueil Des Travaux Chimiques Des Pays-Bas, 111(6), 317â322. Portico.

Authors 3

P. Hamm (first)
P. Jauffret (additional)
G. Kaufmann (additional)

References 8 Referenced 10

{'key': 'e_1_2_1_2_2', 'first-page': '179', 'volume-title': 'Computer Applications in Chemical Research and Education', 'author': 'Rittel H. W.', 'year': '1989'} / Computer Applications in Chemical Research and Education by Rittel H. W. (1989)
10.1021/ci00048a006
10.1021/ci00044a013
10.1021/ci00042a005
{'key': 'e_1_2_1_6_2', 'first-page': '39', 'volume': '24', 'author': 'Barone R.', 'year': '1989', 'journal-title': 'MATCH'} / MATCH by Barone R. (1989)
{'key': 'e_1_2_1_7_2', 'first-page': '341', 'volume-title': 'Organic Synthesis: The Disconnection Approach', 'author': 'Warren S.', 'year': '1982'} / Organic Synthesis: The Disconnection Approach by Warren S. (1982)
10.1016/0898-5529(90)90060-L
{'issue': '12', 'key': 'e_1_2_1_9_2', 'first-page': '921', 'volume': '14', 'author': 'Laurenço C.', 'year': '1990', 'journal-title': 'New J. Chem.'} / New J. Chem. by Laurenço C. (1990)

Dates

Type	When
Created	14 years, 11 months ago (Sept. 13, 2010, 9:02 p.m.)
Deposited	1 year, 10 months ago (Oct. 23, 2023, 1:57 p.m.)
Indexed	1 year, 10 months ago (Oct. 25, 2023, 1:50 a.m.)
Issued	33 years, 8 months ago (Jan. 1, 1992)
Published	33 years, 8 months ago (Jan. 1, 1992)
Published Online	15 years ago (Sept. 2, 2010)
Published Print	33 years, 8 months ago (Jan. 1, 1992)

Funders 0

None

BibTeX

@article{Hamm_1992, title={Generalization and representation of synthesis pathways in the COSYMA system}, volume={111}, ISSN={0165-0513}, url={http://dx.doi.org/10.1002/recl.19921110610}, DOI={10.1002/recl.19921110610}, number={6}, journal={Recueil des Travaux Chimiques des Pays-Bas}, publisher={Wiley}, author={Hamm, P. and Jauffret, P. and Kaufmann, G.}, year={1992}, month=jan, pages={317–322} }

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