Organic synthesis, computer-assisted

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]. 

Computer-Assisted Organic Synthesis W. T. Wipke, W. J. Howe, Eds., ACS, Washington (1977). 

Hladka, E., Koca, J., Kratochvil, M., Kvasnicka, V., Matyska, L., Pospichal, J. and Potucek, V. The Synthon Model and the Program PEGAS for Computer Assisted Organic Synthesis. 166, 121-197 (1993). 

Software available for computer-assisted organic synthesis... 

The book has been restructured in two well differentiated parts. Part B deals exclusively with computer-assisted organic synthesis (see 8 and 9). 

The former Chapter 11 and Appendices 2, 3 and 4 devoted to computer-assisted organic synthesis have also been rewritten and constitute now Part B of the book. The following changes have been introduced ... 

Computer Assisted Organic Synthesis" Wipke, W. T. Howe, W. J., Eds. ACS Symposium Series No. 61, American Chemical Society Washington, D.C., 1977. 

N. J. Hrib (1986). Recent development in computer-assisted organic synthesis. Annu. Rep. Med. 

New Heterocyclic Ring Systems Predicted by Computer-AssIsted Organic Synthesis (CAOS). A computer program written for this purpose (55,56) can be used to predict the formation of additional heterocyclic systems from the reactants mentioned in the above sections. These are the systems which, of course, have not been experimentally detected as reaction products so far. 

W. Todd Wipke and W. Jeffrey Howe, Computer Assisted Organic Synthesis, in ACS Symposium Series 61, American Chemical Society, Washington, DC, 1977. 

Wipke, W.T. and Howe, W.J., "Computer Assisted Organic Synthesis," ACS Symposium Series 61, 1977. 

In the system DARC [228], a special input device (called topocodeur) is used. In computer-assisted organic synthesis, the most widely used input/output method is by means of VDUs [229—232]. This type of input/output is the most familiar to a chemist, since molecules are drawn on the VDU in their usual shape. It is especially interesting for ring compounds and allows us also to deal with the stereochemistry by means of the usual symbols. Although the input via a VDU requires sophisticated hardware, it will probably be used more and more. 

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