“Ask Ernö”: a self-learning tool for assignment and prediction of nuclear magnetic resonance spectra

被引：0
作者：
Andrés M. Castillo
Andrés Bernal
Reiner Dieden
Luc Patiny
Julien Wist
机构：
[1] Universidad Nacional de Colombia,Facultad de Ingeniería
[2] Universidad del Valle,Chemistry Department
[3] Symrise,Analytical Research Center, R&T
[4] Ecole Polytechnique Fédérale de Lausanne, Flavors Division EAME
来源：
Journal of Cheminformatics | / 8卷
关键词：
Nuclear magnetic resonance; Automatic assignment; Chemical shift prediction; Peak-picking; Machine learning; HOSE codes;
D O I：
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学科分类号：
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