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Metadata Files for Structure-based QSAR models to predict repeat dose...
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...
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...
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...