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Recognition of Large Structural Fragments of Organic Compounds by Fast Clusterization of IR Search Result Structures |
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| Authors: | B G Derendyaev T F Bogdanova L I Makarov V N Piottukh-Peletskii |
| Institution: | (1) N. N. Vorozhtsov Novosibirsk Institute of Organic Chemistry, Siberian Branch, Russian Academy of Sciences, Russia;(2) S. L. Sobolev Institute of Mathematics, Siberian Branch, Russian Academy of Sciences, Novosibirsk |
| Abstract: | |
| Keywords: | IR spectroscopy databases (DB) organic structure elucidation classification of structural formulas |
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