Code, analysis, and manuscript for GNN applications in predictive toxicology.
The main goal is to assess the ability of GNNs to accomplish QSAR tasks on Tox21 toxicity endpoints.
GNN applications in predictive toxicology - use-case study for Tox21 QSAR modeling
Code, analysis, and manuscript for GNN applications in predictive toxicology.
The main goal is to assess the ability of GNNs to accomplish QSAR tasks on Tox21 toxicity endpoints.
GNN applications in predictive toxicology - use-case study for Tox21 QSAR modeling