Looking over the rim: algorithms for cheminformatics from computer scientists

por Meinl, Thorsten, Wiswedel, Bernd, Berthold, Michael R
Publicado 2014

KNIME-CDK: Workflow-driven cheminformatics

por Beisken, Stephan, Meinl, Thorsten, Wiswedel, Bernd, de Figueiredo, Luis F, Berthold, Michael, Steinbeck, Christoph
Publicado 2013

chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery

por Lee, Man-Ling, Aliagas, Ignacio, Feng, Jianwen A., Gabriel, Thomas, O’Donnell, T. J., Sellers, Benjamin D., Wiswedel, Bernd, Gobbi, Alberto
Publicado 2017

Workflows for automated downstream data analysis and visualization in large-scale computational mass spectrometry

por Aiche, Stephan, Sachsenberg, Timo, Kenar, Erhan, Walzer, Mathias, Wiswedel, Bernd, Kristl, Theresa, Boyles, Matthew, Duschl, Albert, Huber, Christian G, Berthold, Michael R, Reinert, Knut, Kohlbacher, Oliver
Publicado 2015