A. T. Laak

发表

Machine learning models for lipophilicity and their domain of applicability.

Klaus-Robert Müller, Sebastian Mika, Anton Schwaighofer, 2007, Molecular pharmaceutics.

Benchmark Data Set for in Silico Prediction of Ames Mutagenicity

Klaus-Robert Müller, Sebastian Mika, Thomas Steger-Hartmann, 2009, J. Chem. Inf. Model..

Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules

Klaus-Robert Müller, Sebastian Mika, Anton Schwaighofer, 2007, J. Comput. Aided Mol. Des..

Accurate Solubility Prediction with Error Bars for Electrolytes: A Machine Learning Approach

Klaus-Robert Müller, Sebastian Mika, Anton Schwaighofer, 2007, J. Chem. Inf. Model..

A Probabilistic Approach to Classifying Metabolic Stability

Klaus-Robert Müller, Sebastian Mika, Anton Schwaighofer, 2008, J. Chem. Inf. Model..

Molecular modeling approaches to predicting drug metabolism and toxicity.

N. Vermeulen, A. T. Laak, M. Groot, 2002 .

Mycoplasma infections of cattle

A. T. Laak, H. Ruhnke, 1996 .

Large-scale evaluation of k-fold cross-validation ensembles for uncertainty estimation

K. Baumann, A. T. Laak, Thomas-Martin Dutschmann, 2023, Journal of Cheminformatics.

Comprehensive and Automated Linear Interaction Energy Based Binding-Affinity Prediction for Multifarious Cytochrome P450 Aromatase Inhibitors

J. Wichard, N. Vermeulen, A. T. Laak, 2017, J. Chem. Inf. Model..

Solution structure of the receptor tyrosine kinase EphB2 SAM domain and identification of two distinct homotypic interaction sites

P. Bork, P. Schmieder, A. T. Laak, 1999, Protein science : a publication of the Protein Society.

Histaprodifens: Synthesis, Pharmacological in vitro Evaluation, and Molecular Modeling of a New Class of Highly Active and Selective Histamine H1‐Receptor Agonists.

A. T. Laak, H. Pertz, W. Schunack, 2000 .

Binding site detection via mutual information

Jörg D. Wichard, Ronald Kühne, Antonius ter Laak, 2008, 2008 IEEE International Conference on Fuzzy Systems (IEEE World Congress on Computational Intelligence).

Nonconvex continuous optimization experiments on a transputer system

Peter M. A. Sloot, Louis O. Hertzberger, A. ter Laak, 1992 .

675 Formation of estrogenic metabolites from polycyclic aromatic hydrocarbons and halogenated biphenyls by cytochrome P450 activity and development of a predictive computational model for binding to the estrogen receptor

N. Vermeulen, A. T. Laak, J. Meerman, 2003 .