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Fast taxonomy of chemical structures selected from IR spectral database |
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| Authors: | BG Derendyaev TF Bogdanova LI Makarov |
| Institution: | a Novosibirsk Institute of Organic Chemistry, Siberian Branch of Russian Academy of Sciences, 9 Lavrentiev Avenue, Novosibirsk 630090, Russia b Sobolev Institute of Mathematics, Siberian Branch of Russian Academy of Sciences, 4 Koptyug Avenue, Novosibirsk 630090, Russia |
| Abstract: | |
| Keywords: | IR spectroscopy Database Structure elucidation Chemical informatics |
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