-
Metadata Files for Structure-based QSAR models to predict repeat dose toxicit...
This paper describes a model to take chemical structures and predict a property (the point of departure) for a new chemical. No new data were generated. The contents of this zip... -
Predictive Models for In Vitro Toxicokinetic Parameters to Inform High-throug...
The data used in this analysis was obtained from published literature and available through the high-throughput toxicokinetic (HTTK) R package. The dataset consists of 1486... -
Integrating data gap filling techniques: A case study predicting TEFs for neu...
The experimental data were taken from Simon et al., who compiled potency data for effects related to neurotoxicity from four experimental datasets, Stenberg et al. [18] and...