Huibin Shen

Searching molecular structure databases with tandem mass spectra using CSI:FingerID

Kai Dührkop, Huibin Shen, Marvin Meusel et al. · Proceedings of the National Academy of Sciences · 2015 · 1.1K citations · Full text

Metabolite identification and molecular fingerprint prediction through machine learning

Markus Heinonen, Huibin Shen, Nicola Zamboni et al. · Bioinformatics · 2012 · 195 citations · Full text

Critical Assessment of Small Molecule Identification 2016: automated methods

Emma Schymanski, Christoph Ruttkies, Céline Brouard et al. · Journal of Cheminformatics · 2017 · 182 citations · Full text

Metabolite identification through multiple kernel learning on fragmentation trees

Huibin Shen, Kai Dührkop, Sebastian Böcker et al. · Bioinformatics · 2014 · 119 citations · Full text

Fast metabolite identification with Input Output Kernel Regression

Céline Brouard, Huibin Shen, Kai Dührkop et al. · Bioinformatics · 2016 · 86 citations · Full text