@InProceedings{ludwig_et_al:OASIcs.GCB.2012.23, author = {Ludwig, Marcus and Hufsky, Franziska and Elshamy, Samy and B\"{o}cker, Sebastian}, title = {{Finding Characteristic Substructures for Metabolite Classes}}, booktitle = {German Conference on Bioinformatics 2012}, pages = {23--38}, series = {Open Access Series in Informatics (OASIcs)}, ISBN = {978-3-939897-44-6}, ISSN = {2190-6807}, year = {2012}, volume = {26}, editor = {B\"{o}cker, Sebastian and Hufsky, Franziska and Scheubert, Kerstin and Schleicher, Jana and Schuster, Stefan}, publisher = {Schloss Dagstuhl -- Leibniz-Zentrum f{\"u}r Informatik}, address = {Dagstuhl, Germany}, URL = {https://drops.dagstuhl.de/entities/document/10.4230/OASIcs.GCB.2012.23}, URN = {urn:nbn:de:0030-drops-37157}, doi = {10.4230/OASIcs.GCB.2012.23}, annote = {Keywords: metabolites, substructure prediction, mass spectrometry, FT-BLAST} }