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Metabolites|June 25, 2014
Small Molecule Identification with MOLGEN and Mass SpectrometryMarkus Meringer, Emma L SchymanskiAnalytical Chemistry|January 14, 2011
Automated strategies to identify compounds on the basis of GC/EI-MS and calculated propertiesEmma L Schymanski, Markus Meringer, Werner BrackAnalytical Chemistry|March 28, 2009
Matching structures to mass spectra using fragmentation patterns: are the results as good as they look?Emma L Schymanski, Markus Meringer, Werner BrackAnalytical Chemistry|March 15, 2012
Consensus structure elucidation combining GC/EI-MS, structure generation, and calculated propertiesEmma L Schymanski, Christine M J Gallampois, Martin Krauss, et al.Metabolites|June 25, 2014
The Critical Assessment of Small Molecule Identification (CASMI): Challenges and SolutionsEmma L Schymanski, Steffen NeumannPhilosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|November 15, 2017
Exploring astrobiology using in silico molecular structure generationMarkus Meringer, H James CleavesJournal of Cheminformatics|July 7, 2021
FAIR chemical structures in the Journal of CheminformaticsEmma L Schymanski, Evan E BoltonScientific Reports|December 14, 2017
Computational exploration of the chemical structure space of possible reverse tricarboxylic acid cycle constituentsMarkus Meringer, H James CleavesJournal of Chemical Information and Modeling|January 26, 2005
QSPR using MOLGEN-QSPR: the challenge of fluoroalkane boiling pointsChristoph Rücker, Markus Meringer, Adalbert KerberPageof 12