Revisiting Five Years of CASMI Contests with EPA Identification Tool
An investigation was performed on each of the individual CASMI datasets to identify whether the chemicals were present in DSSTox, the database underlying the Dashboard (see Methods for details). As our identification workflow relies on database presence, the presence or absence of a chemical in the database is clearly highly influential in terms of overall performance. Results from the dataset assembly analysis from each CASMI year dataset are presented in Table 1 and described in detail by dataset year below (complete datasets are provided in Supplemental File 2 and available as lists on the Dashboard).
This dataset is associated with the following publication:
McEachran, A., A. Chao, H. Al-Ghoul, C. Lowe, C. Grulke, J. Sobus, and A. Williams. Revisiting Five Years of CASMI Contests with EPA Identification Tools. Metabolites. MDPI AG, Basel, SWITZERLAND, 10(6): 260, (2020).
Complete Metadata
| accessLevel | public |
|---|---|
| bureauCode |
[
"020:00"
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|
| contactPoint |
{
"fn": "Richard Judson",
"hasEmail": "mailto:judson.richard@epa.gov"
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|
| description | An investigation was performed on each of the individual CASMI datasets to identify whether the chemicals were present in DSSTox, the database underlying the Dashboard (see Methods for details). As our identification workflow relies on database presence, the presence or absence of a chemical in the database is clearly highly influential in terms of overall performance. Results from the dataset assembly analysis from each CASMI year dataset are presented in Table 1 and described in detail by dataset year below (complete datasets are provided in Supplemental File 2 and available as lists on the Dashboard). This dataset is associated with the following publication: McEachran, A., A. Chao, H. Al-Ghoul, C. Lowe, C. Grulke, J. Sobus, and A. Williams. Revisiting Five Years of CASMI Contests with EPA Identification Tools. Metabolites. MDPI AG, Basel, SWITZERLAND, 10(6): 260, (2020). |
| distribution |
[
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"title": "Supplemental File 1_v2.xlsx",
"mediaType": "application/vnd.openxmlformats-officedocument.spreadsheetml.sheet",
"downloadURL": "https://pasteur.epa.gov/uploads/10.23719/1520123/Supplemental%20File%201_v2.xlsx"
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"title": "Supplemental File 2_v2.xlsx",
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"downloadURL": "https://pasteur.epa.gov/uploads/10.23719/1520123/Supplemental%20File%202_v2.xlsx"
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"title": "Supplemental File 3.txt",
"mediaType": "text/plain",
"downloadURL": "https://pasteur.epa.gov/uploads/10.23719/1520123/Supplemental%20File%203.txt"
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|
| identifier | https://doi.org/10.23719/1520123 |
| keyword |
[
"ACToR",
"Mass spectral fragmentation prediction",
"compound database",
"high-resolution mass spectrometry",
"non-targeded analysis",
"spectral library"
]
|
| license | https://pasteur.epa.gov/license/sciencehub-license.html |
| modified | 2020-06-19 |
| programCode |
[
"020:095"
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| publisher |
{
"name": "U.S. EPA Office of Research and Development (ORD)",
"subOrganizationOf": {
"name": "U.S. Environmental Protection Agency",
"subOrganizationOf": {
"name": "U.S. Government"
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|
| references |
[
"https://doi.org/10.3390/metabo10060260"
]
|
| rights |
null
|
| title | Revisiting Five Years of CASMI Contests with EPA Identification Tool |
