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Evolution of the Concept of Synthesis Strategy in the COSYMA System: Introduction of the Synthesis Invariant
Author(s) -
Ellermann Luc,
Jauffret Philippe,
Ostermann Claude,
Kaufmann Gérard
Publication year - 1997
Publication title -
liebigs annalen
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.825
H-Index - 155
eISSN - 1099-0690
pISSN - 0947-3440
DOI - 10.1002/jlac.199719970717
Subject(s) - organic synthesis , chemistry , invariant (physics) , biochemical engineering , computer science , combinatorial chemistry , management science , organic chemistry , engineering , mathematics , catalysis , mathematical physics
Abstract COSYMA is a program for the computer‐assisted design of organic synthesis; its aim is to propose strategies for the synthesis of given compounds. These strategies are automatically learnt from global syntheses described in the literature, and adapted to the specifics of the target molecule. This paper describes an evolution of the formalization of synthesis strategy by taking into account untouched fragments, and the resulting improvement of the COSYMA program.