Antonius ter Laak

Benchmark Data Set for in Silico Prediction of Ames Mutagenicity

Katja Hansen, Sebastian Mika, Timon Schroeter et al. · Journal of Chemical Information and Modeling · 2009 · 350 citations · Full text

Engineering, Hit Identification, Genetics +24

Mutational Analysis of the Antagonist-binding Site of the Histamine H1 Receptor

Kerstin Wieland, Antonius ter Laak, Martine J. Smit et al. · Journal of Biological Chemistry · 1999 · 122 citations · Full text

Homology Modeling of Rat and Human Cytochrome P450 2D (CYP2D) Isoforms and Computational Rationalization of Experimental Ligand-Binding Specificities

Jennifer Venhorst, Antonius ter Laak, Jan N. M. Commandeur et al. · Journal of Medicinal Chemistry · 2002 · 112 citations · Full text

Homology Model, Biochemistry, Protein Assembly +13

Modeling Physico-Chemical ADMET Endpoints with Multitask Graph Convolutional Networks

Floriane Montanari, Lara Kuhnke, Antonius ter Laak et al. · Molecules · 2019 · 110 citations · Full text

Artificial Intelligence, Engineering, Machine Learning +16

Lipophilicity and hydrogen-bonding capacity of H1-antihistaminic agents in relation to their central sedative side-effects

Antonius ter Laak, R.‐S. TSAI, Gabriëlle M. Donné-Op den Kelder et al. · European Journal of Pharmaceutical Sciences · 1994 · 105 citations

Biochemistry, Hydrogen-bonding Capacity, Medicine +10