Impact of Benchmark Data Set Topology on the Validation of Virtual Screening Methods: Exploration and Quantification by Spatial Statistics. - Sebastian G. Rohrer; Knut Baumann (J. Chem. Inf. Model., 2008)

Maximum Unbiased Validation (MUV) Data Sets for Virtual Screening Based on PubChem Bioactivity Data. - Sebastian G. Rohrer; Knut Baumann (J. Chem. Inf. Model., 2009)

Generalized Workflow for Generating Highly Predictive in Silico Off-Target Activity Models. - Lennart T. Anger; Antje Wolf; Klaus-Jürgen Schleifer; Dieter Schrenk; Sebastian G. Rohrer (J. Chem. Inf. Model., 2014)