Metadata Files for Structure-based QSAR models to predict repeat dose toxicity points of departure
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 file contains metadata that you could use to make a model prediction. It does contain all of the code and a help file describing how to run the model.
This dataset is associated with the following publication:
Pradeep, P., K. Paul-Friedman, and R. Judson. Structure-based QSAR Models to Predict Repeat Dose Toxicity Points of Departure. Computational Toxicology. Elsevier B.V., Amsterdam, NETHERLANDS, 16(November 2020): 100139, (2020).
Complete Metadata
| bureauCode |
[ "020:00" ] |
|---|---|
| identifier | https://doi.org/10.23719/1520778 |
| programCode |
[ "020:000" ] |
| references |
[ "https://doi.org/10.1016/j.comtox.2020.100139" ] |
| rights | null |
