Concepts for Computer-Assisted Organic Synthesis

Program systems for computer-assisted organic synthesis (CAOS) have been under development since the early 1970s [27]. The program systems for computer-assisted synthesis planning can be subdivided into two groups information-oriented and logic-oriented systems [28]. 

Information-oriented systems are based on a Hbrary of known retro-reactions which have been collected and evaluated by a group of chemists while coding them in electronic form. In addition, information on the scope and the expected yield under various conditions, as well as a strategic merit, is usually stored. 

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