Publications

Xinhao Li, Nicole Kleinstreuer and Denis Fourches. “Hierarchical Quantitative Structure–Activity Relationship Modeling Approach for Integrating Binary, Multiclass, and Regression Models of Acute Oral Systemic Toxicity” Chemical Research in Toxicology (2020). [Code] [Poster]

Xinhao Li and Denis Fourches. “Inductive Transfer Learning for Molecular Activity Prediction: Next-Gen QSAR Models with MolPMoFiT” Journal of Cheminformatics (2020). [Code] [Poster]