Ralf-Uwe Ebert - researchr alias

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Viewing Publication 1 - 16 from 16

2025

Prediction of the water solubility by a graph convolutional-based neural network on a highly curated datasetNadin Ulrich, Karsten Voigt, Anton Kudria, Alexander Böhme, Ralf-Uwe Ebert. jcheminf, 17(1), December 2025. [doi]

Prediction of the water solubility by a graph convolutional-based neural network on a highly curated datasetNadin Ulrich, Karsten Voigt, Anton Kudria, Alexander Böhme, Ralf-Uwe Ebert. jcheminf, 17(1):55, December 2025. [doi]

2011

Diagnostic of tautomer behaviour on QSAR models and AM1 optimisationTorsten Thalheim, Dominik Wondrousch, Stefanie Stöckl, Denis Mulliner, Ralf-Uwe Ebert, Ralph Kühne, Gerrit Schüürmann. jcheminf, 3(S-1):24, 2011. [doi]

a of Organic Acids from Local Molecular Parameters of Their Electronic Ground StateHaiying Yu, Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann. jcisd, 51(9):2336-2344, 2011. [doi]

2010

Prediction of the partition coefficient between air and body compartments from the chemical structureStefanie Stöckl, Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann. jcheminf, 2(S-1):9, 2010. [doi]

Tautomer Identification and Tautomer Structure Generation Based on the InChI CodeTorsten Thalheim, Armin Vollmer, Ralf-Uwe Ebert, Ralph Kühne, Gerrit Schüürmann. jcisd, 50(7):1223-1232, 2010. [doi]

A Branch-and-Bound approach for tautomer enumerationTorsten Thalheim, Ralf-Uwe Ebert, Ralph Kühne, Gerrit Schüürmann. jcheminf, 2(S-1):8, 2010. [doi]

a of Organic Oxygen Acids and Nitrogen Bases from Molecular StructureHaiying Yu, Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann. jcisd, 50(11):1949-1960, 2010. [doi]

Modelling dissociation constants of organic acids by local molecular parametersHaiying Yu, Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann. jcheminf, 2(S-1):10, 2010. [doi]

2009

2008

External Validation and Prediction Employing the Predictive Squared Correlation Coefficient Test Set Activity Mean vs Training Set Activity MeanGerrit Schüürmann, Ralf-Uwe Ebert, Jingwen Chen, Bin Wang, Ralph Kühne. jcisd, 48(11):2140-2145, 2008. [doi]

2006

Model Selection Based on Structural Similarity-Method Description and Application to Water Solubility PredictionRalph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann. jcisd, 46(2):636-641, 2006. [doi]

2001

Application of Neural Networks to Modeling and Estimating Temperature-Dependent Liquid Viscosity of Organic CompoundsTakahiro Suzuki, Ralf-Uwe Ebert, Gerrit Schüürmann. jcisd, 41(3):776-790, 2001. [doi]

1997

Development of Both Linear and Nonlinear Methods To Predict the Liquid Viscosity at 20 C of Organic CompoundsTakahiro Suzuki, Ralf-Uwe Ebert, Gerrit Schüürmann. jcisd, 37(6):1122-1128, 1997. [doi]

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