Computer-aided structure transformation

The design of a synthesis is based on a careful analysis of the structure sought. This process, termed retrosynthetic analysis by Corey, who is responsible for its formalization, can be performed manually or in a computer-aided fashion (1). It involves consideration of all potential bond breakings—thus, retiosynthesis—of the target. Each is evaluated in terms of the probability of success, based on known reactions, of the reverse, synthetic transformation. In its more sophisticated forms, the computer program will provide an estimate of the probability of success of the proposed transformation, as well as relevant literature citations. 

In the area of manual or computer-aided program construction (for experts), [Deville and Burnay 89] and [Deville 87,90] suggest a divide-and-conquer schema. They also discuss interesting transformation schemas, based on (structural or computational) generalization. 

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