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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)