Thomas Kleinöder

New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling

Johann Gasteiger, Andrew P. Worth, Tomasz Magdziarz, 2015, J. Chem. Inf. Model..

The eTOX Data-Sharing Project to Advance in Silico Drug-Induced Toxicity Prediction

Ferran Sanz, Thomas Steger-Hartmann, Montserrat Cases, 2014, International journal of molecular sciences.

Legacy data sharing to improve drug safety assessment: the eTOX project

Anne Hersey, Søren Brunak, Anthony J. Brookes, 2017, Nature Reviews Drug Discovery.

COMDECOM: Predicting the Lifetime of Screening Compounds in DMSO Solution

J. Gasteiger, Qian-Nan Hu, E. Zitha-Bovens, 2009, Journal of biomolecular screening.

Decision support systems for chemical structure representation, reaction modeling, and spectra simulation

J Gasteiger, Markus C. Hemmer, J. Gasteiger, 2002, SAR and QSAR in environmental research.