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ChemInform Abstract: Artificial Intelligence in Chemistry

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Abstract

Abstract The techniques and tools of artificial intelligence are reviewed. Chemical problems can serve as test domains for the development of new artificial intelligence methods. Artificial intelligence techniques can also be applied to the solution of practical problems in chemistry. Applications in chemistry include problems where it is necessary to encode chemical expertise, and where chemistry is merely an additional domain to which standard artificial intelligence techniques can be applied. Programs exploiting encoded chemical expertise can assist in solving problems of structure elucidation, synthesis planning, and experiment design. Robotics methods based on artifical intelligence and expert systems can enhance the performance of chemical instrumentation. Systems understanding natural language could improve the handling of chemical information, and artificial intelligence techniques may extend the capabilities of computer-assisted instruction.

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