Antonius ter Laak
Orcid: 0000-0003-1820-002X
According to our database1,
Antonius ter Laak
authored at least 11 papers
between 1995 and 2023.
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Bibliography
2023
Large-scale evaluation of k-fold cross-validation ensembles for uncertainty estimation.
J. Cheminformatics, December, 2023
2019
Mechanistic Reactivity Descriptors for the Prediction of Ames Mutagenicity of Primary Aromatic Amines.
J. Chem. Inf. Model., 2019
2017
Comprehensive and Automated Linear Interaction Energy Based Binding-Affinity Prediction for Multifarious Cytochrome P450 Aromatase Inhibitors.
J. Chem. Inf. Model., September, 2017
Efficiency of different measures for defining the applicability domain of classification models.
J. Cheminformatics, 2017
2010
A Maximum Common Subgraph Kernel Method for Predicting the Chromosome Aberration Test.
J. Chem. Inf. Model., 2010
2009
J. Chem. Inf. Model., 2009
2008
J. Chem. Inf. Model., 2008
Proceedings of the FUZZ-IEEE 2008, 2008
2007
Accurate Solubility Prediction with Error Bars for Electrolytes: A Machine Learning Approach.
J. Chem. Inf. Model., 2007
Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules.
J. Comput. Aided Mol. Des., 2007
1995
Modelling and mutation studies on the histamine H<sub>1</sub>-receptor agonist binding site reveal different binding modes for H<sub>1</sub>-agonists: Asp<sup>116</sup> (TM3) has a constitutive role in receptor stimulation.
J. Comput. Aided Mol. Des., 1995