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000725864 019__ $$a905855379
000725864 020__ $$a9783662464021$$qelectronic book
000725864 020__ $$a3662464020$$qelectronic book
000725864 020__ $$z9783662464014
000725864 0247_ $$a10.1007/978-3-662-46402-1$$2doi
000725864 035__ $$aSP(OCoLC)ocn904281152
000725864 035__ $$aSP(OCoLC)904281152$$z(OCoLC)905855379
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000725864 08204 $$a541/.22$$223
000725864 1001_ $$aElyashberg, Mikhail,$$eauthor.
000725864 24510 $$aComputer-based structure elucidation from spectral data$$h[electronic resource] :$$bthe art of solving problems /$$cMikhail E. Elyashberg, Antony J. Williams.
000725864 264_1 $$aHeidelberg :$$bSpringer,$$c2015.
000725864 300__ $$a1 online resource (xvi, 447 pages) :$$billustrations (some color).
000725864 336__ $$atext$$btxt$$2rdacontent
000725864 337__ $$acomputer$$bc$$2rdamedia
000725864 338__ $$aonline resource$$bcr$$2rdacarrier
000725864 4901_ $$aLecture notes in chemistry,$$x0342-4901 ;$$v89
000725864 504__ $$aIncludes bibliographical references.
000725864 5050_ $$aPART I: ACD/Structure Elucidator Expert System -- Fundamentals of the Structure Elucidator Expert Systems -- Strategies of Structure Elucidation -- PART II: Getting Started Structure Elucidator -- Simple Examples of Structure Elucidation -- PART III: Solution of Real World Problems.- Structure Elucidation Using Strict Structure Generation -- Structure Elucidation Using Fuzzy Structure Generation.
000725864 506__ $$aAccess limited to authorized users.
000725864 520__ $$aHere, the authors introduce readers to solving molecular structure elucidation problems using the expert system ACD/Structure Elucidator. They explain in detail the concepts of the Computer-Assisted Structure Elucidation (CASE) approach and point out the crucial role of understanding the axiomatic nature of the data used to deduce the structure. Aspects covered include the main blocks of the expert system and essential features of the mathematical algorithms used. Graduate and PhD students as well as practicing chemists are provided with a detailed explanation of the various practical approaches depending on available spectral data peculiarities and the complexity of the unknown structure. This is supported by a large number of real-world completed examples, most of which are related to the structure elucidation of natural product molecules containing unusual skeletons. Dedicated software and further supplementary material are available at www.acdlabs.com/TeachingSE.
000725864 588__ $$aOnline resource; title from PDF title page (SpringerLink, viewed March 5, 2015).
000725864 650_0 $$aMolecular structure$$xComputer simulation.
000725864 650_0 $$aSpectrum analysis$$xData processing.
000725864 650_0 $$aStructural bioinformatics.
000725864 650_0 $$aCheminformatics.
000725864 7001_ $$aWilliams, Antony J.,$$eauthor.
000725864 77608 $$iPrint version:$$z9783662464014
000725864 830_0 $$aLecture notes in chemistry ;$$v89.
000725864 852__ $$bebk
000725864 85640 $$3SpringerLink$$uhttps://univsouthin.idm.oclc.org/login?url=http://link.springer.com/10.1007/978-3-662-46402-1$$zOnline Access$$91397441.1
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000725864 983__ $$aOnline
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