Metadata Files for Structure-based QSAR models to predict repeat dose toxicity points of departure
Description
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).
Resources
| Name |
Format |
Description |
Link |
|
57 |
Pradeep%20et%20al%20QSAR%20Models%20Supp%20Data%20Files.zip |
https://pasteur.epa.gov/uploads/10.23719/1520778/Pradeep%20et%20al%20QSAR%20Models%20Supp%20Data%20Files.zip |
Tags
- point-of-departure
- systemic-toxicity
- repeat-dose-toxicity
- qsar