Artificial intelligence in organic

Rodgers, David and W. T. Wipke. Artificial Intelligence in Organic Synthesis. SST Starting Material Selection Strategies. An Application of Superstructure Search, J. Chem. Inf. Comput. Sci., 24, (1984), pp. 71-81. 

De P. Emerenciano, V. et al., Application of artificial intelligence in organic chemistry. Part XIX. Pattern recognition and structural determination of flavonoids using 13C-NMR spectra. Spectroscopy, 13, 181, 1997. 

R. K. Lindsay, B. G. Buchanan, E. A, Feigenbaum, and J, Lederberg, Applications of Artificial Intelligence in Organic Chemistry The Dendral Project. McGraw-Hill, New York, 1980. 

Hippe Z (1991) Artificial intelligence in chemistry. Structure elucidation and simulation of organic reactions. Elsevier, Amsterdam... 

There have been attempts to apply formal methods to the representation of organic compounds [1],[2], some attempts to apply artificial intelligence to organic synthesis [3],[4], and numerous attempts to apply the use of molecular orbital calculations to the verification of the validity of compounds in the synthesis route. This effort was a moderate attempt to examine the representation issues involved in writing production rules for Diels-Alder disconnections. 

Zdzislaw Hippe, Artificial Intelligence in Chemistry Structure Elucidation and Simulation of Organic Reactions, Elsevier, Amsterdam, Neth., 1991. 

EROS is not able to do this. In fact, it falls down in its inability to extract its own rules from input organic reactivity data sets. It is this information to which organic chemists have applied their intelligence and experience, and then, in the case of our research group, built into EROS. Thus, in the sense which we believe was intended when the term artificial intelligence was coined, EROS is not yet an example of AI. 

Until recently, most expert system building took place in the research departments of universities and a few major corporations. The primary emphasis was investigation of artificial intelligence principles, and the application was of secondary importance. The expert systems tools used reflect this interest. They are typically stand-alone AI computer systems, using special hardware and software environments (usually Lispr-based) not commonly fo md in scientific and engineering organizations. 

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