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2010 – 2019
- 2015
[j7]Lora Mak
, David Marcus, Andrew Howlett, Galina Yarova, Guus Duchateau, Werner Klaffke, Andreas Bender, Robert C. Glen:
Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling. J. Cheminformatics 7: 31:1-31:12 (2015)- 2014
- [j6]Alexios Koutsoukas, Robert Lowe, Yasaman KalantarMotamedi, Hamse Y. Mussa, Werner Klaffke, John B. O. Mitchell, Robert C. Glen, Andreas Bender:
Erratum for "In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naı̈ve Bayes and Parzen-Rosenblatt Window". J. Chem. Inf. Model. 54(7): 2180-2182 (2014) - 2013
- [j5]Johannes Kirchmair, Andrew Howlett, Julio E. Peironcely, Daniel S. Murrell, Mark J. Williamson, Samuel E. Adams, Thomas Hankemeier, Leo van Buren, Guus Duchateau, Werner Klaffke, Robert C. Glen:
Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules. J. Cheminformatics 5(S-1): 12 (2013) - [j4]Johannes Kirchmair, Andrew Howlett, Julio E. Peironcely, Daniel S. Murrell, Mark J. Williamson, Samuel E. Adams, Thomas Hankemeier, Leo van Buren, Guus Duchateau, Werner Klaffke, Robert C. Glen:
How Do Metabolites Differ from Their Parent Molecules and How Are They Excreted? J. Chem. Inf. Model. 53(2): 354-367 (2013) - [j3]Alexios Koutsoukas, Robert Lowe, Yasaman KalantarMotamedi, Hamse Y. Mussa, Werner Klaffke, John B. O. Mitchell, Robert C. Glen, Andreas Bender:
In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naïve Bayes and Parzen-Rosenblatt Window. J. Chem. Inf. Model. 53(8): 1957-1966 (2013)
2000 – 2009
- 2003
- [j2]Martin Whittle, Peter Willett, Werner Klaffke, Paula van Noort:
Evaluation of Similarity Measures for Searching the Dictionary of Natural Products Database. J. Chem. Inf. Comput. Sci. 43(2): 449-457 (2003) - 2001
- [j1]Shail Patel, Jeremy Rabone, Stephen Russell, Jos Tissen, Werner Klaffke:
Iterated Reaction Graphs: Simulating Complex Maillard Reaction Pathways. J. Chem. Inf. Comput. Sci. 41(4): 926-933 (2001)
Coauthor Index
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