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Expert systems for structure elucidation of organic molecules by spectral methods

Mikhail Evkhononovich Elyashberg 1
Mikhail Evkhononovich Elyashberg
1 All-Russian Research Institute of Organic Synthesis, Moscow
10.1070/RC1999v068n07ABEH000516
Published 30 November 1998
Communication , Volume 68, Issue 7, 525-547
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Elyashberg M. E. Expert systems for structure elucidation of organic molecules by spectral methods // Russian Chemical Reviews. 1999. Vol. 68. No. 7. pp. 525-547.
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Elyashberg M. E. Expert systems for structure elucidation of organic molecules by spectral methods // Russian Chemical Reviews. 1999. Vol. 68. No. 7. pp. 525-547.
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TY - JOUR
DO - 10.1070/RC1999v068n07ABEH000516
UR - https://rcr.colab.ws/publications/10.1070/RC1999v068n07ABEH000516
TI - Expert systems for structure elucidation of organic molecules by spectral methods
T2 - Russian Chemical Reviews
AU - Elyashberg, Mikhail Evkhononovich
PY - 1999
DA - 1998/11/30
PB - ANO Editorial Board of the journal Uspekhi Khimii
SP - 525-547
IS - 7
VL - 68
ER -
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@article{1999_Elyashberg,
author = {Mikhail Evkhononovich Elyashberg},
title = {Expert systems for structure elucidation of organic molecules by spectral methods},
journal = {Russian Chemical Reviews},
year = {1999},
volume = {68},
publisher = {ANO Editorial Board of the journal Uspekhi Khimii},
month = {Nov},
url = {https://rcr.colab.ws/publications/10.1070/RC1999v068n07ABEH000516},
number = {7},
pages = {525--547},
doi = {10.1070/RC1999v068n07ABEH000516}
}
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Elyashberg, Mikhail Evkhononovich. “Expert systems for structure elucidation of organic molecules by spectral methods.” Russian Chemical Reviews, vol. 68, no. 7, Nov. 1999, pp. 525-547. https://rcr.colab.ws/publications/10.1070/RC1999v068n07ABEH000516.
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Abstract

The state-of-the-art of the investigations aimed at creating expert systems for establishing the structure of organic molecules from IR, 1H and 13C NMR spectra is analysed. Computer methods used for identification of molecular fragments, generation of their structure and spectra prediction are considered. Principles of the creation of modern expert systems and general strategy of solving structural problems are discussed. The bibliography includes 174 references.

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