Werner Klaffke - researchr alias

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Viewing Publication 1 - 7 from 7

2015

Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modelingLora Mak, David Marcus, Andrew Howlett, Galina Yarova, Guus Duchateau, Werner Klaffke, Andreas Bender, Robert C. Glen. jcheminf, 7, 2015. [doi]

2014

Erratum for "In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naı̈ve Bayes and Parzen-Rosenblatt Window"Alexios Koutsoukas, Robert Lowe, Yasaman KalantarMotamedi, Hamse Y. Mussa, Werner Klaffke, John B. O. Mitchell, Robert C. Glen, Andreas Bender. jcisd, 54(7):2180-2182, 2014. [doi]

2013

How Do Metabolites Differ from Their Parent Molecules and How Are They Excreted?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. jcisd, 53(2):354-367, 2013. [doi]

Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic moleculesJohannes Kirchmair, Andrew Howlett, Julio E. Peironcely, Daniel S. Murrell, Mark Williamson, Samuel E. Adams, Thomas Hankemeier, Leo van Buren, Guus Duchateau, Werner Klaffke, Robert C. Glen. jcheminf, 5(S-1):12, 2013. [doi]

In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naïve Bayes and Parzen-Rosenblatt WindowAlexios Koutsoukas, Robert Lowe, Yasaman KalantarMotamedi, Hamse Y. Mussa, Werner Klaffke, John B. O. Mitchell, Robert C. Glen, Andreas Bender. jcisd, 53(8):1957-1966, 2013. [doi]

2003

Evaluation of Similarity Measures for Searching the Dictionary of Natural Products DatabaseMartin Whittle, Peter Willett 0002, Werner Klaffke, Paula van Noort. jcisd, 43(2):449-457, 2003. [doi]

2001

Iterated Reaction Graphs: Simulating Complex Maillard Reaction PathwaysShail Patel, Jeremy Rabone, Stephen Russell, Jos Tissen, Werner Klaffke. jcisd, 41(4):926-933, 2001. [doi]

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