Maximum-score diversity selection for early drug discovery
Meinl, Thorsten, Ostermann, C, Nimz, O, Zaliani, A, Berthold, MR
Published in Journal of cheminformatics (04.05.2010)
Published in Journal of cheminformatics (04.05.2010)
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Journal Article
KNIME-CDK: Workflow-driven cheminformatics
Beisken, Stephan, Meinl, Thorsten, Wiswedel, Bernd, de Figueiredo, Luis F, Berthold, Michael, Steinbeck, Christoph
Published in BMC bioinformatics (22.08.2013)
Published in BMC bioinformatics (22.08.2013)
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Journal Article
Maximum-Score Diversity Selection for Early Drug Discovery
Meinl, Thorsten, Ostermann, Claude, Berthold, Michael R
Published in Journal of chemical information and modeling (28.02.2011)
Published in Journal of chemical information and modeling (28.02.2011)
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Journal Article
A KNIME-Based Analysis of the Zebrafish Photomotor Response Clusters the Phenotypes of 14 Classes of Neuroactive Molecules
Copmans, Daniëlle, Meinl, Thorsten, Dietz, Christian, van Leeuwen, Matthijs, Ortmann, Julia, Berthold, Michael R, de Witte, Peter A M
Published in Journal of biomolecular screening (01.06.2016)
Published in Journal of biomolecular screening (01.06.2016)
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Journal Article
Automated workflows for modelling chemical fate, kinetics and toxicity
Sala Benito, J.V., Paini, Alicia, Richarz, Andrea-Nicole, Meinl, Thorsten, Berthold, Michael R., Cronin, Mark T.D., Worth, Andrew P.
Published in Toxicology in vitro (01.12.2017)
Published in Toxicology in vitro (01.12.2017)
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Journal Article
Computational chemistry solutions supporting chemical safety assessment: Lessons learned for using in silico approaches
Cronin, M., Bois, F., Fioravanzo, E., Meinl, T., Neagu, D., Worth, A., Yang, C., Richarz, A.-N.
Published in Toxicology letters (16.10.2015)
Published in Toxicology letters (16.10.2015)
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Journal Article
Looking over the rim: algorithms for cheminformatics from computer scientists
Meinl, Thorsten, Wiswedel, Bernd, Berthold, Michael R
Published in Journal of cheminformatics (11.03.2014)
Published in Journal of cheminformatics (11.03.2014)
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Journal Article
A Quantitative Comparison of the Subgraph Miners MoFa, gSpan, FFSM, and Gaston
Wörlein, Marc, Meinl, Thorsten, Fischer, Ingrid, Philippsen, Michael
Published in Knowledge Discovery in Databases: PKDD 2005 (2005)
Published in Knowledge Discovery in Databases: PKDD 2005 (2005)
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Book Chapter
Conference Proceeding
In silico workflows for toxicity prediction implemented into KNIME
Richarz, Andrea-Nicole, Enoch, Steven, Hewitt, Mark, Madden, Judith, Nelms, Mark, Przybylak, Katarzyna, Yang, Chihae, Berthold, Michael, Meinl, Thorsten, Ohl, Peter, Cronin, Mark
Published in Toxicology letters (28.08.2013)
Published in Toxicology letters (28.08.2013)
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Journal Article
Graph based molecular data mining - an overview
Fischer, I., Meinl, T.
Published in 2004 IEEE International Conference on Systems, Man and Cybernetics (IEEE Cat. No.04CH37583) (2004)
Published in 2004 IEEE International Conference on Systems, Man and Cybernetics (IEEE Cat. No.04CH37583) (2004)
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Conference Proceeding
Mining Molecular Datasets on Symmetric Multiprocessor Systems
Meinl, T., Worlein, M., Fischer, I., Philippsen, M.
Published in 2006 IEEE International Conference on Systems, Man and Cybernetics (01.10.2006)
Published in 2006 IEEE International Conference on Systems, Man and Cybernetics (01.10.2006)
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Conference Proceeding
Hybrid fragment mining with MoFa and FSG
Meinl, T., Berthold, M.R.
Published in 2004 IEEE International Conference on Systems, Man and Cybernetics (IEEE Cat. No.04CH37583) (2004)
Published in 2004 IEEE International Conference on Systems, Man and Cybernetics (IEEE Cat. No.04CH37583) (2004)
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Conference Proceeding
Full Perfect Extension Pruning for Frequent Graph Mining
Borgelt, C., Meinl, T.
Published in Sixth IEEE International Conference on Data Mining - Workshops (ICDMW'06) (01.12.2006)
Published in Sixth IEEE International Conference on Data Mining - Workshops (ICDMW'06) (01.12.2006)
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Conference Proceeding