Applications of Artificial Intelligence for Organic by Robert K. Lindsay, etc.

By Robert K. Lindsay, etc.

Show description

Read or Download Applications of Artificial Intelligence for Organic Chemistry: The Dendral Project (McGraw-Hill advanced computer science series) PDF

Similar organic books

Advances in Physical Organic Chemistry

Advances in actual natural Chemistry presents the chemical group with authoritative and important tests of the numerous points of actual natural chemistry. the sphere is a swiftly constructing one, with effects and methodologies discovering program from biology to sturdy country physics. * reports the applying of quantitative and mathematical tools in the direction of figuring out chemical difficulties * Multidisciplinary volumes disguise natural, organometallic, bioorganic, enzymes and fabrics issues

Computer Modeling of Chemical Reactions in Enzymes and Solutions

This functional reference explores laptop modeling of enzyme reations--techniques that support chemists, biochemists and pharmaceutical researchers comprehend drug and enzyme motion.

Annual Reports in Organic Synthesis–1992

The magazine of the yank Chemical Society has aptly defined this e-book as an ''aid to the confused natural chemist who can't stay alongside of the never-diminishing flow of latest fundamental literature'' and hails it ''an outstandingly good deal. ''

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

Sample text

When such problem-state descriptors exist, particular features of the initial states might be associated for some reason with particular features of the goal states for problems of interest. Statistically guided search attempts to capitalize on this situation, either by employing known associations or searching for some. Hill climbing Hill-climbing methods (1) select a point in the space, (2) search in the local area of that point for the direction that maximizes a gradient, and (3) move in the direction of maximum gradient to a new point where the process is repeated.

This period has been one of great change in computer technology and in the attitudes, aspirations, and activities of the research community working on problems of artificial intelligence. To place DENDRAL in the context of its parent discipline so that we may see how it has drawn from and contributed to this development, we first look at the short history of AI. The major goal of AI research is a productive understanding of the processesof intelligent thought. The major method of AI distinguishes this discipline from others with similar goals.

2) where S = sum of valences of multivalent atoms K = number of multivalent atoms U = degree of unsaturation (of a superatompot) For the example, CgNUz , there are 17 free valences. *The DENDRAL generator treats double bonds as rings and triple bonds as two-ring structures. See page 12. 3The number of partitions of n indistinguishable objects for n = 5, 10, and 20 is 7, 42, and 627, respectively. The number of partitions is asymptotic to [4n(3)‘/*] -’ exp [n(2n/3)‘/*]. 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 .

Download PDF sample

Rated 4.37 of 5 – based on 9 votes