COMPUTER-ASSISTED ANALYSIS OF CHEMICAL SYNTHESIS

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The major objective of this work is the application of digital computers to the derivation of synthetic pathways to complex organic structures. A general problem-solving program, LHASA (Logic and Heuristics Applied to Synthetic Analysis), is being developed which can be used interactively by a chemist with simple graphical input-output of structural formulas. The principles and strategies of organic synthesis are being formalized for use by the program. A variety of strategies including long-range search capabilities are being employed in the program. In addition, the vast range of information on synthetic chemistry is being organized and rationalized to provide a rich and effective knowledge base. The program can be applied to problems involving biologically important substances and is available to other scientists. The LHASA project pioneered the field of computer-assisted synthetic analysis. LHASA has been and continues to be the most sophisticated and powerful computer program for synthetic analysis. Our goal is to increase greatly the capabilities of LHASA so that it becomes a valuable and widely used tool in science.