Development of Both Linear and Nonlinear Methods To Predict the Liquid Viscosity at 20 C of Organic Compounds. - Takahiro Suzuki; Ralf-Uwe Ebert; Gerrit Schüürmann (J. Chem. Inf. Comput. Sci., 1997)

Application of Neural Networks to Modeling and Estimating Temperature-Dependent Liquid Viscosity of Organic Compounds. - Takahiro Suzuki; Ralf-Uwe Ebert; Gerrit Schüürmann (J. Chem. Inf. Comput. Sci., 2001)

Model Selection Based on Structural Similarity-Method Description and Application to Water Solubility Prediction. - Ralph Kühne; Ralf-Uwe Ebert; Gerrit Schüürmann (J. Chem. Inf. Model., 2006)

External Validation and Prediction Employing the Predictive Squared Correlation Coefficient Test Set Activity Mean vs Training Set Activity Mean. - Gerrit Schüürmann; Ralf-Uwe Ebert; Jingwen Chen; Bin Wang 012; Ralph Kühne (J. Chem. Inf. Model., 2008)

Modeling the H bond donor strength of -OH, -NH, and -CH sites by local molecular parameters. - Johannes Schwöbel; Ralf-Uwe Ebert; Ralph Kühne; Gerrit Schüürmann (J. Comput. Chem., 2009)

Chemical Domain of QSAR Models from Atom-Centered Fragments. - Ralph Kühne; Ralf-Uwe Ebert; Gerrit Schüürmann (J. Chem. Inf. Model., 2009)

Prediction of the Intrinsic Hydrogen Bond Acceptor Strength of Organic Compounds by Local Molecular Parameters. - Johannes Schwöbel; Ralf-Uwe Ebert; Ralph Kühne; Gerrit Schüürmann (J. Chem. Inf. Model., 2009)

Prediction of the partition coefficient between air and body compartments from the chemical structure. - Stefanie Stöckl; Ralph Kühne; Ralf-Uwe Ebert; Gerrit Schüürmann (J. Cheminformatics, 2010)

A Branch-and-Bound approach for tautomer enumeration. - Torsten Thalheim; Ralf-Uwe Ebert; Ralph Kühne; Gerrit Schüürmann (J. Cheminformatics, 2010)

Modelling dissociation constants of organic acids by local molecular parameters. - Haiying Yu; Ralph Kühne; Ralf-Uwe Ebert; Gerrit Schüürmann (J. Cheminformatics, 2010)

Tautomer Identification and Tautomer Structure Generation Based on the InChI Code. - Torsten Thalheim; Armin Vollmer; Ralf-Uwe Ebert; Ralph Kühne; Gerrit Schüürmann (J. Chem. Inf. Model., 2010)

Comparative Analysis of QSAR Models for Predicting pKa of Organic Oxygen Acids and Nitrogen Bases from Molecular Structure. - Haiying Yu; Ralph Kühne; Ralf-Uwe Ebert; Gerrit Schüürmann (J. Chem. Inf. Model., 2010)

Diagnostic of tautomer behaviour on QSAR models and AM1 optimisation. - Torsten Thalheim; Dominik Wondrousch; Stefanie Stöckl; Denis Mulliner; Ralf-Uwe Ebert; Ralph Kühne; Gerrit Schüürmann (J. Cheminformatics, 2011)

Prediction of the Dissociation Constant pKa of Organic Acids from Local Molecular Parameters of Their Electronic Ground State. - Haiying Yu; Ralph Kühne; Ralf-Uwe Ebert; Gerrit Schüürmann (J. Chem. Inf. Model., 2011)

Prediction of the water solubility by a graph convolutional-based neural network on a highly curated dataset. - Nadin Ulrich; Karsten Voigt; Anton Kudria; Alexander Böhme; Ralf-Uwe Ebert (J. Cheminformatics, 2025)