Transparency in Modeling through Careful Application of OECD’s QSAR/QSPR Principles via a Curated Water Solubility Data Set
Description
Figures, Tables, and QRMF for "Charles N. Lowe, Nathaniel Charest, Christian Ramsland, Daniel T. Chang, Todd M. Martin, and Antony J. Williams
Chemical Research in Toxicology 2023 36 (3), 465-478
DOI: 10.1021/acs.chemrestox.2c00379".
This dataset is associated with the following publication:
Lowe, C., N. Charest, C. Ramsland, D. Chang, T. Martin, and A. Williams. Transparency in Modeling through Careful Application of OECD’s QSAR/QSPR Principles via a Curated Water Solubility Data Set. CHEMICAL RESEARCH IN TOXICOLOGY. American Chemical Society, Washington, DC, USA, 36(3): 465-478, (2023).
Resources
| Name |
Format |
Description |
Link |
|
53 |
Tables%20S1-S4.xlsx |
https://pasteur.epa.gov/uploads/10.23719/1528708/Tables%20S1-S4.xlsx |
|
33 |
QMRF%20for%20Water%20Solubility%20Model.pdf |
https://pasteur.epa.gov/uploads/10.23719/1528708/QMRF%20for%20Water%20Solubility%20Model.pdf |
|
33 |
Figures%20S1.pdf |
https://pasteur.epa.gov/uploads/10.23719/1528708/Figures%20S1.pdf |
Tags
- oecd-validation-principles
- water-solubility
- cheminformatics
- databases
- qsar