Antonius ter Laak

Publication Activity (10 Years)

Years Active: 2007-2023
Publications (10 Years): 4

Top Topics

Prediction Algorithm

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

Publications

Thomas-Martin Dutschmann, Lennart Kinzel, Antonius ter Laak, Knut Baumann
Large-scale evaluation of k-fold cross-validation ensembles for uncertainty estimation. J. Cheminformatics 15 (1) (2023)
Lara Kuhnke, Antonius ter Laak, Andreas H. Göller
Mechanistic Reactivity Descriptors for the Prediction of Ames Mutagenicity of Primary Aromatic Amines. J. Chem. Inf. Model. 59 (2) (2019)
Marc van Dijk, Antonius ter Laak, Jörg D. Wichard, Luigi Capoferri, Nico P. E. Vermeulen, Daan P. Geerke
Comprehensive and Automated Linear Interaction Energy Based Binding-Affinity Prediction for Multifarious Cytochrome P450 Aromatase Inhibitors. J. Chem. Inf. Model. 57 (9) (2017)
Waldemar Klingspohn, Miriam Mathea, Antonius ter Laak, Nikolaus Heinrich, Knut Baumann
Efficiency of different measures for defining the applicability domain of classification models. J. Cheminformatics 9 (1) (2017)
Johannes Mohr, Brijnesh J. Jain, Andreas Sutter, Antonius ter Laak, Thomas Steger-Hartmann, Nikolaus Heinrich, Klaus Obermayer
A Maximum Common Subgraph Kernel Method for Predicting the Chromosome Aberration Test. J. Chem. Inf. Model. 50 (10) (2010)
Katja Hansen, Sebastian Mika, Timon Schroeter, Andreas Sutter, Antonius ter Laak, Thomas Steger-Hartmann, Nikolaus Heinrich, Klaus-Robert Müller
Benchmark Data Set for in Silico Prediction of Ames Mutagenicity. J. Chem. Inf. Model. 49 (9) (2009)
Anton Schwaighofer, Timon Schroeter, Sebastian Mika, Katja Hansen, Antonius ter Laak, Philip Lienau, Andreas Reichel, Nikolaus Heinrich, Klaus-Robert Müller
A Probabilistic Approach to Classifying Metabolic Stability. J. Chem. Inf. Model. 48 (4) (2008)
Jörg D. Wichard, Ronald Kühne, Antonius ter Laak
Binding site detection via mutual information. FUZZ-IEEE (2008)
Timon Schroeter, Anton Schwaighofer, Sebastian Mika, Antonius ter Laak, Detlev Sülzle, Ursula Ganzer, Nikolaus Heinrich, Klaus-Robert Müller
Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules. J. Comput. Aided Mol. Des. 21 (12) (2007)
Anton Schwaighofer, Timon Schroeter, Sebastian Mika, Julian Laub, Antonius ter Laak, Detlev Sülzle, Ursula Ganzer, Nikolaus Heinrich, Klaus-Robert Müller
Accurate Solubility Prediction with Error Bars for Electrolytes: A Machine Learning Approach. J. Chem. Inf. Model. 47 (2) (2007)
Timon Schroeter, Anton Schwaighofer, Sebastian Mika, Antonius ter Laak, Detlev Sülzle, Ursula Ganzer, Nikolaus Heinrich, Klaus-Robert Müller
Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules. J. Comput. Aided Mol. Des. 21 (9) (2007)