Hierarchical Quantitative Structure-Activity Relationship Modeling Approach for Integrating Binary, Multiclass, and Regression Models of Acute Oral Systemic Toxicity - Li, Xinhao; Kleinstreuer, Nicole C.; Fourches, Denis (CHEMICAL RESEARCH IN TOXICOLOGY, 2020)

Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT - Li, Xinhao; Fourches, Denis (JOURNAL OF CHEMINFORMATICS, 2020)
Keywords: Transfer learning; Neural networks; Self-supervised learning; QSPR; QSAR