Cross-validation is dead. Long live cross-validation! Model validation based on resampling

by Baumann Knut
Published 2010-05-01

Exploring benchmark dataset bias in ligand based virtual screening

by Rohrer SG, Baumann Knut
Published 2008-03-01

CavKA^HYBRID – between hard spheres and Gaussians

by Koelling Florian, Baumann Knut
Published 2012-05-01

INSARA: a new method for the analysis and visualization of Structure-Activity-Relationships

by Wollenhaupt Sabrina, Baumann Knut
Published 2012-05-01