Evaluation of quantitative structure property relationship algorithms for predicting plasma protein binding in humans-UW-QSPR-Supplementary data
Description
Observed fup data obtained from the literature; SMILES structures obtained from Pubchem SDF files.
This dataset is associated with the following publication:
Yun, Y.E., R. Tornero-Velez, T. Purucker, D. Chang, and A.N. Edginton. Evaluation of Quantitative Structure Property Relationship algorithms for predicting plasma protein binding in humans. Computational Toxicology. Elsevier B.V., Amsterdam, NETHERLANDS, 17: 100142, (2021).
Resources
| Name |
Format |
Description |
Link |
|
53 |
Supplement%20Data%202.xlsx |
https://pasteur.epa.gov/uploads/10.23719/1520781/Supplement%20Data%202.xlsx |
|
10 |
Supplement%20Data%201.docx |
https://pasteur.epa.gov/uploads/10.23719/1520781/Supplement%20Data%201.docx |
Tags
- plasma-protein-binding
- environmentally-relevant
- pubchem
- qspr
- cheminformatics