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Toward more reliable 13C and 1H chemical shift prediction: a systematic comparison of neural-network and least-squares regression based approaches
Authors:Smurnyy Yegor D  Blinov Kirill A  Churanova Tatiana S  Elyashberg Mikhail E  Williams Antony J
Institution:Advanced Chemistry Development, Moscow Department, 6 Akademik Bakulev Street, Moscow 117513, Russian Federation, and Advanced Chemistry Development, Inc., 110 Yonge Street, 14th Floor, Toronto, Ontario, Canada M5C 1T4.
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