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By Robert K. Lindsay, etc.

ISBN-10: 0070378959

ISBN-13: 9780070378957

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Extra resources for Applications of Artificial Intelligence for Organic Chemistry: The Dendral Project (McGraw-Hill advanced computer science series)

Sample text

THE DENDRAL GENERATOR 45 Table 4-1 Possible partitions of CloNU2 Ring Rim superatompot superatompot Remainingpot #2 #I Ring Ring superatompot superatompot Remainingpot #l #2 C3NU C2NU CNU csu c2 c6u c2 c7u c2 c2u c3 c3fJ c3 c4u c3 csu c3 c6u c3 czu c4 c3u c4 c4u c4 csu c4 c2u c5 c3u c5 c4u c5 C2NU CNU c2u c6 c3u c6 CNU c2u c7 c8u c2u c7u c3u c6u c4u csu c5u c7u c7u c2u c3u C c2 c3 c4 C5 c6 c7 csw C4NU C3NU C2NU CNU c8 CNU2 c9 c9u2 N CN cSu2 C2N c7u2 C3N c6u2 C4N ClOU2 csu2 GN c4u2 C6N c3u2 C7N c2u2 CSN CsNU C7NU CeNU C5NU C4NU C3NU C2NU c2u c3u c4u GU C4NU C3NU C2NU CNU C3NU C2NU CNU N N N N c6u c8u c6u CNU c9u csu c4u CN CN CN C7NU c6u c2u C2N c2u c5u c3u C2N c4u c4u C2N csu c2u C3N c4u c3u C3N c4u c3u c2u c3u c3u c2u C5N c2u c2u C6N cS” C C C C C C C c6m c2u c2 CSN c3u c2 c4u c2 CeNU CSNU C4NU C3NU C2NU CNU C4NU c3u c4u csu c6u c7u C4N .

The second system, called Meta-DENDRAL, accepts known mass spectrum/structure pairs as input and attempts to infer the specific knowledge of mass spectrometry that can be used by Heuristic DENDRAL to explain new spectra. Heuristic DENDRAL is a performance system and Meta-DENDRAL is a learning system. The following chapters describe these two systems. It must be kept in mind that each has evolved over many years; in fact each is being continually revised. The de- 36 APPLICATIONS OF ARTIFICIAL INTELLIGENCE FOR ORGANIC CHEMISTRY scriptions here are somewhat idealized expositions of the programs as they exist at this writing.

A number of them have been studied. The 32 APPLICATIONS OF ARTIFICIAL INTELLIGENCE FOR ORGANIC CHEMISTRY analysis of these methods and the related problems comprises an important part of AI theory. It will be clear that different problem-solving strategies are appropriate for different problems. 1 Nouheuristic Methods Random exploration This method is random selection of problem states (with replacement); the probability of selection is uniformly distributed over the set of accessible states. For large spaces the random procedure is a last resort.

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Applications of Artificial Intelligence for Organic Chemistry: The Dendral Project (McGraw-Hill advanced computer science series) by Robert K. Lindsay, etc.


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