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Julien Wist

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Related publications (12)

Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

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

Luc Patiny, Julien Wist, Andrés Mauricio Castillo Robles

Background: We present "Ask Erno", a self-learning system for the automatic analysis of NMR spectra, consisting of integrated chemical shift assignment and prediction tools. The output of the automatic assignment component initializes and improves a databa ...

Biomed Central Ltd2016

Fully automatic assignment of small molecules' NMR spectra without relying on chemical shift predictions

Luc Patiny, Julien Wist, Andrés Mauricio Castillo Robles

We present a method for the automatic assignment of small molecules' NMR spectra. The method includes an automatic and novel self-consistent peak-picking routine that validates NMR peaks in each spectrum against peaks in the same or other spectra that are ...

Wiley-Blackwell2015

Improving the efficiency of branch-and-bound complete-search NMR assignment using the symmetry of molecules and spectra

Luc Patiny, Julien Wist, Andrés Mauricio Castillo Robles

Nuclear magnetic resonance (NMR) assignment of small molecules is presented as a typical example of a combinatorial optimization problem in chemical physics. Three strategies that help improve the efficiency of solution search by the branch and bound metho ...

Amer Inst Physics2015