Using the COSYMA System for the Discovery of Synthesis Strategies by Analogy | Zendy

Jauffret Philippe | Zendy; Ostermann Claude | Zendy; Kaufmann Gérard | Zendy

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Using the COSYMA System for the Discovery of Synthesis Strategies by Analogy

Author(s) -

Jauffret Philippe,

Ostermann Claude,

Kaufmann Gérard

Publication year - 2003

Publication title -

european journal of organic chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.825

H-Index - 155

eISSN - 1099-0690

pISSN - 1434-193X

DOI - 10.1002/ejoc.200200571

Subject(s) - chemistry , analogy , key (lock) , artificial intelligence , combinatorial chemistry , organic synthesis , biochemical engineering , computer science , organic chemistry , engineering , epistemology , philosophy , computer security , catalysis

COSYMA is a computer program whose use is to suggest synthesis strategies for complex organic molecules. During a learning stage, which has been presented in previous papers, strategies (sequences of key reaction steps) are automatically extracted from total syntheses, described in the literature, and stored in a knowledge base. This paper presents the storage of strategies and the use of COSYMA to solve synthetic problems: how strategies applicable to a submitted target molecule are selected, and “instanciated” according to the structural specificities of this target. We provide an example of using COSYMA for discovering synthesis strategies for acromelic acid. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

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