Zobrazeno 1 - 10
of 12
pro vyhledávání: '"Eduard R. Martirosian"'
Autor:
Sergey G. Molodtsov, Gary E. Martin, Antony J. Williams, Eduard R. Martirosian, Kirill A. Blinov, Mikhail E. Elyashberg
Publikováno v:
Journal of Chemical Information and Computer Sciences. 44:771-792
StrucEluc is an expert system that allows the computer-assisted elucidation of chemical structures based on the inputs of a series of spectral data including 1D and 2D NMR and mass spectra. The system has been enabled to allow a chemist to utilize fr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::85472a1a09bce0b748f63b1880e42959
https://doi.org/10.1021/ci0341060
https://doi.org/10.1021/ci0341060
Autor:
Kirill A. Blinov, Sergey G. Molodtsov, Antony J. Williams, Eduard R. Martirosian, Gary E. Martin, Mikhail E. Elyashberg
Publikováno v:
Journal of Heterocyclic Chemistry. 40:1017-1029
Characteristic features of a new expert system StrucEluc are described. The system is intended for the structure elucidation of complex organic molecules using a variety of spectroscopic data including 2D NMR. We review here the results of challengin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9890c5011a00b606a94e9fc3b5c9f7d1
https://doi.org/10.1002/jhet.5570400610
https://doi.org/10.1002/jhet.5570400610
Autor:
Eduard R. Martirosian, Mikhail E. Elyashberg, Gary E. Martin, Kirill A. Blinov, Antony J. Williams, Sergey G. Molodtsov, Dean V. Carlson
Publikováno v:
Magnetic Resonance in Chemistry. 41:359-372
This paper considers the strategy of the StrucEluc expert system application for structure elucidation of new natural products when there is a lack of connectivity information that is characteristic of proton-deficient molecules. It is shown that in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::493c4217da0b9b6bb1e3d7f268995d41
https://doi.org/10.1002/mrc.1187
https://doi.org/10.1002/mrc.1187
Autor:
Bruce A. Stiemsma, Antony J. Williams, Eduard R. Martirosian, Thomas J. Thamann, Sergey G. Molodtsov, Gary E. Martin, David J. Russell, Brian D. Kaluzny, Paul L. Schiff, Chad E. Hadden, Ronald C. Crouch, Kirill A. Blinov, Mikhail E. Elyashberg, Jane E. Guido, Wayne K. Duholke
Publikováno v:
Journal of Heterocyclic Chemistry. 39:1241-1250
Identification of degradants of pharmaceuticals is a necessary challenge of the drug development process following the subjection of candidate molecules to a variety of physico-chemical stresses. It would be desirable to be able to conduct such studi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1e3e43caa8b71528baa159a9d497e9d1
https://doi.org/10.1002/jhet.5570390619
https://doi.org/10.1002/jhet.5570390619
Autor:
Mikhail E. Elyashberg, Antony J. Williams, Eduard R. Martirosian, Sergey G. Molodtsov, Kirill A. Blinov
Publikováno v:
Journal of Natural Products. 65:693-703
Described herein are applications of the latest version of the StrucEluc expert software system, enhanced to use 2D NMR data, to the structure elucidation of 60 recently isolated natural products. In this study, selected molecules containing between
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dc04268b843c9dcdea9a986e6a67ffa5
https://doi.org/10.1021/np0103315
https://doi.org/10.1021/np0103315
Autor:
Sergey G. Molodtsov, Kirill A. Blinov, Eduard R. Martirosian, Antony J. Williams, Mikhail E. Elyashberg
Publikováno v:
Fresenius' Journal of Analytical Chemistry. 369:709-714
A software program for the automated structure elucidation of complex organic molecules using an expert system and utilizing 2D homo- and heteronuclear correlation 1H, 13C and 15N NMR spectroscopy is described. The methodology is illustrated on the b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::71fe526852de50850f90505ef32e8d27
https://doi.org/10.1007/s002160100757
https://doi.org/10.1007/s002160100757
Publikováno v:
Laboratory Automation & Information Management. 34:15-30
This article concerns a new expert system for elucidating structures of organic compounds from their spectra, where two principally different molecular generators are used. The system is based on a database of 13 C NMR spectra (135,000 structures), a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e846b07e6bb4575816ce504993376cfe
https://doi.org/10.1016/s1381-141x(99)00002-7
https://doi.org/10.1016/s1381-141x(99)00002-7
Publikováno v:
Analytica Chimica Acta. 348:443-463
Copyright (c) 1997 Elsevier Science B.V. All rights reserved. A great number of spectral tasks were solved to elaborate strategies of molecular structure elucidation by expert systems based on the spectrum-structure correlations. The X-PERT system wa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e077d799413413a4ba118f7562c43aef
https://doi.org/10.1016/s0003-2670(97)00229-8
https://doi.org/10.1016/s0003-2670(97)00229-8
Publikováno v:
Analytica Chimica Acta. 337:265-286
A new expert system, X-PERT, is described in detail for molecular structure elucidation using IR, 1 H-NMR and 13 C-NMR spectra. The system was designed to provide a high degree of user-friendliness. It features convenient and operationally simple aid
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a725556e8574ba44cb0ece25867cb0b4
https://doi.org/10.1016/s0003-2670(96)00391-1
https://doi.org/10.1016/s0003-2670(96)00391-1
Publikováno v:
SPIE Proceedings.
The described system uses spectrum-structure correlations in IR and NMR spectra, which form a knowledge base of the system. Structural-group analysis of an unknown compound is carried out, then all structural formulas (SF) of isomers are generated an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3a3e2120076d5396669a046b6801b7f8
https://doi.org/10.1117/12.166790
https://doi.org/10.1117/12.166790