Computer-aided synthesis planning

Historically, this analysis set the stage for systematizing the intellectual aspects of synthesis planning and for uncovering any logical pattern by which the process of synthesis planning might be described. This in turn 

Stimulating and valuable to a chemist. The field of computer-assisted synthetic analysis is fascinating in its own right, and surely one of the most interesting problems in the area of machine intelligence. Because of the enormous memory and speed of modern machines and the probability of continuing advances, it seems clear that computers can play an important role in synthetic design.  

Overall, the acceptance of such synthesis planning programs up to now has remained rather low, considering all the progress that has been made in the development of such programs [ 1,11 ] There remains the task to improve the interface of these programs to make them really attractive in the future and to maximize their potentials. 

Sitzmann, M. Pfortner Computer-Assisted Synthesis Design in Chemoinformat-ics (Eds. J. Gasteiger, T. Engel), Wiley-VCH, Weinheim, 2003. 

The Logic of Chemical Synthesis, J. Wiley Sons, New York, 1989. 

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In order to understand the conceptual framework of EROS, it is desirable to consider first the approach to computer-aided synthesis planning which is based on a library of known reactions. 

The available synthetic reactions can be represented as a combination of two half-reactions each. They can be classified according to certain types of half-reactions [4], During efforts to arrive at computer-aided synthesis plan-ning, it was recognized that a rather small number of types of half-reactions suffices to encompass the majority of synthetic methodology. Hendrickson... 

Johnson AP. Computer aids to synthesis planning. Chem Brit 1985 21 59, 62-64, 66-67. 

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