Duplicate detection of 2D-NMR Spectra

by Hinneburg Alexander, Egert Björn, Porzel Andrea
Published 2007-03-01

Building blocks for automated elucidation of metabolites: Machine learning methods for NMR prediction

by Neumann Steffen, Egert Björn, Kuhn Stefan, Steinbeck Christoph
Published 2008-09-01