Classifying Knowledge for Reusability - An Application to Organic Synthesis Planning
Identifieur interne : 00CE99 ( Main/Exploration ); précédent : 00CE98; suivant : 00CF00Classifying Knowledge for Reusability - An Application to Organic Synthesis Planning
Auteurs : A. Napoli ; J. LieberSource :
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Abstract
In this paper, we present an application of case-based reasoning to the design of synthetic plans in organic synthesis. In the first part of the paper, we briefly introduce the principles of organic synthesis planning, e.g. building a new molecular structure, or target molecule. Then, we present the object-based representation system for organic synthesis planning that we are developing. Two main kinds of reasoning processes are employed in the system for building target molecules. Classification-based reasoning is used to apply chemical transformations to a target molecule, according to its functionality. Moreover, the classification-based reasoning process can be likened to a general reuse process. Further, case-based reasoning is used to select a synthetic plan, according to the similarity existing between the current target molecule and molecules memorized with their synthetic plans. This last mode of reasoning extends the strategic capabilities of the system. Reuse is achieved in two main ways : code reuse through the object-based architecture of the system, and knowledge reuse, through classification-based and case-based reasoning. ,
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