A support vector machine approach to classify human cytochrome P450 3A4 inhibitors. - Jan M. Kriegl; Thomas Arnhold; Bernd Beck; Thomas Fox (J. Comput. Aided Mol. Des., 2005)

Bias-Correction of Regression Models: A Case Study on hERG Inhibition. - Katja Hansen; Fabian Rathke; Timon Schroeter; Georg Rast; Thomas Fox; Jan M. Kriegl; Sebastian Mika (J. Chem. Inf. Model., 2009)

Mining Electronic Laboratory Notebooks: Analysis, Retrosynthesis, and Reaction Based Enumeration. - Clara D. Christ; Matthias Zentgraf; Jan M. Kriegl (J. Chem. Inf. Model., 2012)

The impact of data integrity on decision making in early lead discovery. - Bernd Beck; Daniel Seeliger; Jan M. Kriegl (J. Comput. Aided Mol. Des., 2015)

Computer-aided drug design at Boehringer Ingelheim. - Ingo Muegge; Andreas Bergner; Jan M. Kriegl (J. Comput. Aided Mol. Des., 2017)