Lara Kuhnke

Modeling Physico-Chemical ADMET Endpoints with Multitask Graph Convolutional Networks

Floriane Montanari, Lara Kuhnke, Antonius ter Laak et al. · Molecules · 2019 · 115 citations · Full text

Computing, Chemistry, Computer Science +17

Extending (Q)SARs to incorporate proprietary knowledge for regulatory purposes: A case study using aromatic amine mutagenicity

Ernst Ahlberg, Alexander Amberg, Lisa Beilke et al. · Regulatory Toxicology and Pharmacology · 2016 · 47 citations

Pharmacy, Toxicology, Pharmaceutical Toxicology +7

The potent AMPK inhibitor BAY-3827 shows strong efficacy in androgen-dependent prostate cancer models

Clara Lemos, Volker Schulze, Simon J. Baumgart et al. · Cellular Oncology · 2021 · 43 citations · Full text

Medicine, Oncology, Pharmacology +7

Mechanistic Reactivity Descriptors for the Prediction of Ames Mutagenicity of Primary Aromatic Amines

Lara Kuhnke, Antonius ter Laak, Andreas H. Göller · Journal of Chemical Information and Modeling · 2019 · 31 citations

Pharmacy, Toxicology, Computational Chemistry +11

Data-driven federated learning in drug discovery with knowledge distillation

Thierry Hanser, Ernst Ahlberg, Alexander Amberg et al. · Nature Machine Intelligence · 2025 · 27 citations

Computing, Data Science, Drug Discovery +10