Rapid Experimental Estimates of Physicochemical Properties
Description
We have performed high-throughput experimental estimates of five physicochemical properties for a set of 200 chemicals to evaluate the consistency with previous measurements, factors impacting consistency and experimental success, and the applicability domain of the new data in relation to previously measured data and predictive models.
This dataset is associated with the following publication:
Nicolas, C., K. Mansouri, K. Phillips, C. Grulke, A. Richard, A. Williams, J. Rabinowitz, K. Isaacs, A. Yau, and J. Wambaugh. (ENVIRONMENTAL SCIENCE and TECHNOLOGY) Rapid Experimental Estimates of Physicochemical Properties to Inform Models and Testing. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 636: 901-909, (2018).
Resources
| Name |
Format |
Description |
Link |
|
53 |
SI_tables.xlsx |
https://pasteur.epa.gov/uploads/10.23719/1395223/SI_tables.xlsx |
|
10 |
Supplemental_PhysChem_Submitted.docx |
https://pasteur.epa.gov/uploads/10.23719/1395223/Supplemental_PhysChem_Submitted.docx |
Tags
- quantitative-structure-activity-relationship-qsar
- physicochemical-properties
- exposure
- expocast
- qsar-modeling