Transparency in Modeling through Careful Application of OECD’s QSAR/QSPR Principles via a Curated Water Solubility Data Set
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
3 resources available
-
Figures S1.pdf
APPLICATION/PDF -
QMRF for Water Solubility Model.pdf
APPLICATION/PDF -
Tables S1-S4.xlsx
APPLICATION/VND.OPENXMLFORMATS-OFFICEDOCUMENT.SPREADSHEETML.SHEET
Find Related Datasets
Search by Tags
Click any tag below to search for similar datasets
Complete Metadata
| @type | dcat:Dataset |
|---|---|
| accessLevel | public |
| bureauCode |
[ "020:00" ] |
| contactPoint |
{ "fn": "Daniel Chang", "hasEmail": "mailto:chang.daniel@epa.gov" } |
| 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). |
| distribution |
[ { "title": "Figures S1.pdf", "mediaType": "application/pdf", "downloadURL": "https://pasteur.epa.gov/uploads/10.23719/1528708/Figures%20S1.pdf" }, { "title": "QMRF for Water Solubility Model.pdf", "mediaType": "application/pdf", "downloadURL": "https://pasteur.epa.gov/uploads/10.23719/1528708/QMRF%20for%20Water%20Solubility%20Model.pdf" }, { "title": "Tables S1-S4.xlsx", "mediaType": "application/vnd.openxmlformats-officedocument.spreadsheetml.sheet", "downloadURL": "https://pasteur.epa.gov/uploads/10.23719/1528708/Tables%20S1-S4.xlsx" } ] |
| identifier | https://doi.org/10.23719/1528708 |
| keyword |
[ "OECD validation principles", "cheminformatics", "databases", "qsar", "water solubility" ] |
| license | https://pasteur.epa.gov/license/sciencehub-license.html |
| modified | 2023-03-06 |
| programCode |
[ "020:000" ] |
| publisher |
{ "name": "U.S. EPA Office of Research and Development (ORD)", "subOrganizationOf": { "name": "U.S. Environmental Protection Agency", "subOrganizationOf": { "name": "U.S. Government" } } } |
| references |
[ "https://doi.org/10.1021/acs.chemrestox.2c00379" ] |
| rights |
null
|
| title | Transparency in Modeling through Careful Application of OECD’s QSAR/QSPR Principles via a Curated Water Solubility Data Set |
