Lina Humbeck

Scaffold Hunter: a comprehensive visual analytics framework for drug discovery

Karsten Klein, Nils M. Kriege, Petra Mutzel, 2017, Journal of Cheminformatics.

A novel interaction fingerprint derived from per atom score contributions: exhaustive evaluation of interaction fingerprint performance in docking based virtual screening

Oliver Koch, Tobias Brinkjost, Lina Humbeck, 2018, Journal of Cheminformatics.

What Can We Learn from Bioactivity Data? Chemoinformatics Tools and Applications in Chemical Biology Research.

Oliver Koch, Lina Humbeck, O. Koch, 2017, ACS chemical biology.

CHIPMUNK: A Virtual Synthesizable Small‐Molecule Library for Medicinal Chemistry, Exploitable for Protein–Protein Interaction Modulators

Petra Mutzel, Oliver Koch, Till Schäfer, 2018, ChemMedChem.

Chemical Similarity and Substructure Searches

Nils M. Kriege, Lina Humbeck, Oliver Koch, 2019, Encyclopedia of Bioinformatics and Computational Biology.

Splitting chemical structure data sets for federated privacy-preserving machine learning

Bernd Beck, Yves Moreau, Jaak Simm, 2021 .