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Authors whose works are in public domain in at least one jurisdiction

List of works by Knut Baumann

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CavKAHYBRID – between hard spheres and Gaussians.

scientific article
Cavka – a new automatic pharmacophore elucidation method in progress.

scientific article published on 19 April 2011
Combination of fingerprints and MCS-based (inSARa) networks for Structure-Activity-Relationship analysis

Comparison of ATP binding sites using structure-based similarity methods and molecular interaction fields.

scientific article published on 19 April 2011
Cross-validation is dead. Long live cross-validation! Model validation based on resampling.

scientific article published on 4 May 2010
INSARA: a new method for the analysis and visualization of Structure-Activity-Relationships.

scientific article
Reliable estimation of externally validated prediction errors for QSAR models

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