A First Study on Case-Based Planning in
Organic Synthesis

Amedeo Napoli and Jean Lieber

CRIN CNRS - INRIA Lorraine
B.P. 239  54506 Vandoeuvre-ls-Nancy Cedex  France
(e-mail: napoli@loria.fr  lieber@loria.fr)


Abstract. In this paper, we present an application of case-based reasoning 
to the design of synthetic plans in organic synthesis. First, we
briefly introduce the principles of organic synthesis planning, e.g. building 
a new molecular structure or target molecule. Then, we present the
knowledge representation and reasoning principles on which relies the
system for organic synthesis planning that we are developing. Two main
kinds of reasoning processes are employed in the system. Classification-based 
reasoning is used at a tactical level for the perception of chemical
characteristics and the structure modifications of the target molecule.
Case-based reasoning is used at a strategic level to build a synthetic
plan, according to the similarity between the target molecule and memorized 
synthetic plans. The representation and the handling of one-step
synthetic plans are detailed and end the paper.
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