Results 151 to 160 of about 195 (177)
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The dendral project: recent advances in computer- assisted structure elucidation
Analytica Chimica Acta, 1981Abstract Recent advances in the DENDRAL Project on computer-assisted approaches to structure elucidation are reviewed. Important developments include: (1) novel approaches to constrained generation of constitutional isomers to obtain structural candidates for an unknown; (2) the first solution to the problem of exhaustive generation of ...
Dennis H. Smith +3 more
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Computer assisted structure elucidation
Analytica Chimica Acta, 1987Neil A.B. Gray, Albert Platt
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Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation
2011Computer-Assisted Structure Elucidation (CASE) systems are a combination of software algorithms and tools to support and enable chemists and spectroscopists engaged in the process of molecular structure elucidation via the analysis of spectroscopic data. These expert systems dramatically reduce the time associated with structure elucidation and improve
Mikhail E Elyashberg +2 more
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ChemInform Abstract: Computer‐Assisted Structure Elucidation for Organic Compounds
ChemInform, 1993AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
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Incorporation of 4J-HMBC and NOE Data into Computer-Assisted Structure Elucidation with WebCocon
Molecules, 2021Thomas Lindel +2 more
exaly
1979
The purpose of this paper is to describe a recent effort to generate, classify, and enumerate the stereoisomers of all organic chemical structures consistent with a given empirical formula. The resulting theory is then converted into an algorithm which is programmed for a computer. The resulting program is used as an aid for computer assisted structure
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The purpose of this paper is to describe a recent effort to generate, classify, and enumerate the stereoisomers of all organic chemical structures consistent with a given empirical formula. The resulting theory is then converted into an algorithm which is programmed for a computer. The resulting program is used as an aid for computer assisted structure
openaire +1 more source