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3 changes: 3 additions & 0 deletions .Rbuildignore
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Expand Up @@ -98,4 +98,7 @@ vignettes/sites.png
vignettes/thres.png
^docker$
^review$
vignettes/update_data.Rmd
vignettes/update_data.html
vignettes/update_data.R

2 changes: 1 addition & 1 deletion DISCLAIMER.md
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@@ -1,4 +1,4 @@
Disclaimer
==========

This software is preliminary or provisional and is subject to revision. It is being provided to meet the need for timely best science. The software has not received final approval by the U.S. Geological Survey (USGS). No warranty, expressed or implied, is made by the USGS or the U.S. Government as to the functionality of the software and related material nor shall the fact of release constitute any such warranty. The software is provided on the condition that neither the USGS nor the U.S. Government shall be held liable for any damages resulting from the authorized or unauthorized use of the software.
This software is preliminary or provisional and is subject to revision. It is being provided to meet the need for timely best science. The software has not received final approval by the U.S. Geological Survey (USGS). No warranty, expressed or implied, is made by the USGS or the U.S. Government as to the functionality of the software and related material nor shall the fact of release constitute any such warranty. The software is provided on the condition that neither the USGS nor the U.S. Government shall be held liable for any damages resulting from the authorized or unauthorized use of the software.
2 changes: 1 addition & 1 deletion R/toxEval.R
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Expand Up @@ -52,7 +52,7 @@ dbVersion <- function() {
#' \url{https://www.frontiersin.org/articles/10.3389/ftox.2023.1275980/full}.
#'
#' @references U.S. EPA. 2023. ToxCast & Tox21 Summary Files.
#' Retrieved from \url{https://www.epa.gov/chemical-research/toxicity-forecaster-toxcasttm-data}
#' Retrieved from \url{https://www.epa.gov/comptox-tools/exploring-toxcast-data}
#' on September 2023.
#'
#' @source \url{https://www.epa.gov/comptox-tools/exploring-toxcast-data}
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13 changes: 5 additions & 8 deletions README.Rmd
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Expand Up @@ -108,10 +108,10 @@ There are 4 vignettes to help introduce and navigate the `toxEval` package:

|Name|R command|Description |
|----------|------------|-----------------------------------------|
|[Introduction](https://rconnect.usgs.gov/toxEval_docs/articles/Introduction.html) | `vignette("Introduction", package="toxEval")`|Introduction to the toxEval |
|[Basic Workflow](https://rconnect.usgs.gov/toxEval_docs/articles/basicWorkflow.html) | `vignette("basicWorkflow", package="toxEval")`|Quickstart guide to get overview of available functions |
|[Prepare Data](https://rconnect.usgs.gov/toxEval_docs/articles/PrepareData.html) | `vignette("PrepareData", package="toxEval")`|Guide to preparing your data for toxEval analysis|
|[Shiny App Guide](https://rconnect.usgs.gov/toxEval_docs/articles/shinyApp.html) | `vignette("shinyApp", package="toxEval")`|Guide to the toxEval shiny application|
|[Introduction](https://doi-usgs.github.io/toxEval/articles/Introduction.html) | `vignette("Introduction", package="toxEval")`|Introduction to the toxEval |
|[Basic Workflow](https://doi-usgs.github.io/toxEval/articles/basicWorkflow.html) | `vignette("basicWorkflow", package="toxEval")`|Quickstart guide to get overview of available functions |
|[Prepare Data](https://doi-usgs.github.io/toxEval/articles/PrepareData.html) | `vignette("PrepareData", package="toxEval")`|Guide to preparing your data for toxEval analysis|
|[Shiny App Guide](https://doi-usgs.github.io/toxEval/articles/shinyApp.html) | `vignette("shinyApp", package="toxEval")`|Guide to the toxEval shiny application|

### Reporting bugs

Expand All @@ -125,7 +125,7 @@ We want to encourage a warm, welcoming, and safe environment for contributing to

### Package Support

The Water and Environmental Health Mission Areas of the USGS, as well as the Great Lakes Restoration Initiative (GLRI) has supported the development of the `toxEval` R-package. Further maintenance is expected to be stable through September 2024. Resources are available primarily for maintenance and responding to user questions. Priorities on the development of new features are determined by the `toxEval` development team.
The Water and Environmental Health Mission Areas of the USGS, as well as the Great Lakes Restoration Initiative (GLRI) has supported the development of the `toxEval` R-package. Further maintenance is expected to be stable through September 2025. Resources are available primarily for maintenance and responding to user questions. Priorities on the development of new features are determined by the `toxEval` development team.


### Sunset date
Expand Down Expand Up @@ -154,6 +154,3 @@ citation(package = "toxEval")
```



```{r disclaimer, child="DISCLAIMER.md", eval=TRUE}
```
29 changes: 7 additions & 22 deletions README.md
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Expand Up @@ -137,10 +137,10 @@ package:

| Name | R command | Description |
|------------|--------------|----------------------------------------------|
| [Introduction](https://rconnect.usgs.gov/toxEval_docs/articles/Introduction.html) | `vignette("Introduction", package="toxEval")` | Introduction to the toxEval |
| [Basic Workflow](https://rconnect.usgs.gov/toxEval_docs/articles/basicWorkflow.html) | `vignette("basicWorkflow", package="toxEval")` | Quickstart guide to get overview of available functions |
| [Prepare Data](https://rconnect.usgs.gov/toxEval_docs/articles/PrepareData.html) | `vignette("PrepareData", package="toxEval")` | Guide to preparing your data for toxEval analysis |
| [Shiny App Guide](https://rconnect.usgs.gov/toxEval_docs/articles/shinyApp.html) | `vignette("shinyApp", package="toxEval")` | Guide to the toxEval shiny application |
| [Introduction](https://doi-usgs.github.io/toxEval/articles/Introduction.html) | `vignette("Introduction", package="toxEval")` | Introduction to the toxEval |
| [Basic Workflow](https://doi-usgs.github.io/toxEval/articles/basicWorkflow.html) | `vignette("basicWorkflow", package="toxEval")` | Quickstart guide to get overview of available functions |
| [Prepare Data](https://doi-usgs.github.io/toxEval/articles/PrepareData.html) | `vignette("PrepareData", package="toxEval")` | Guide to preparing your data for toxEval analysis |
| [Shiny App Guide](https://doi-usgs.github.io/toxEval/articles/shinyApp.html) | `vignette("shinyApp", package="toxEval")` | Guide to the toxEval shiny application |

### Reporting bugs

Expand All @@ -159,7 +159,7 @@ more information.
The Water and Environmental Health Mission Areas of the USGS, as well as
the Great Lakes Restoration Initiative (GLRI) has supported the
development of the `toxEval` R-package. Further maintenance is expected
to be stable through September 2024. Resources are available primarily
to be stable through September 2025. Resources are available primarily
for maintenance and responding to user questions. Priorities on the
development of new features are determined by the `toxEval` development
team.
Expand Down Expand Up @@ -189,9 +189,7 @@ citation(package = "toxEval")
#>
#> DeCicco L, Corsi S, Villeneuve D, Blackwell B, Ankley G (2024).
#> _toxEval: Exploring Biological Relevance of Environmental Chemistry
#> Observations_. R package version 1.4.0, commit
#> a37e823cef5c31903dad50537e1a517953ef505a,
#> <https://code.usgs.gov/water/toxEval>.
#> Observations_. R package version 1.4.0.
#>
#> A BibTeX entry for LaTeX users is
#>
Expand All @@ -200,19 +198,6 @@ citation(package = "toxEval")
#> Observations},
#> author = {Laura DeCicco and Steven Corsi and Daniel Villeneuve and Brett Blackwell and Gerald Ankley},
#> year = {2024},
#> note = {R package version 1.4.0, commit a37e823cef5c31903dad50537e1a517953ef505a},
#> url = {https://code.usgs.gov/water/toxEval},
#> note = {R package version 1.4.0},
#> }
```

# Disclaimer

This software is preliminary or provisional and is subject to revision.
It is being provided to meet the need for timely best science. The
software has not received final approval by the U.S. Geological Survey
(USGS). No warranty, expressed or implied, is made by the USGS or the
U.S. Government as to the functionality of the software and related
material nor shall the fact of release constitute any such warranty. The
software is provided on the condition that neither the USGS nor the U.S.
Government shall be held liable for any damages resulting from the
authorized or unauthorized use of the software.
47 changes: 45 additions & 2 deletions code.json
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@@ -1,5 +1,5 @@
[
{
{
"name": "toxEval",
"organization": "U.S. Geological Survey",
"description": "Data analysis package for estimating potential biological effects from concentrations determined from environmental samples.",
Expand Down Expand Up @@ -41,7 +41,50 @@
},

"date": {
"metadataLastUpdated": "2022-12-29"
"metadataLastUpdated": "2024-11-22"
}
},
{
"name": "toxEval",
"organization": "U.S. Geological Survey",
"description": "Description of package.",
"version": "1.4.0",
"status": "Production",

"permissions": {
"usageType": "openSource",
"licenses": [
{
"name": "Public Domain, CC0-1.0",
"URL": "https://code.usgs.gov/water/toxEval/-/raw/1.4.0/LICENSE.md"
}
]
},

"homepageURL": "https://code.usgs.gov/water/toxEval/-/tags/1.4.0",
"downloadURL": "https://code.usgs.gov/water/toxEval/-/archive/1.4.0/toxEval-1.4.0.zip",
"disclaimerURL": "https://code.usgs.gov/water/toxEval/-/raw/1.4.0/DISCLAIMER.md",
"repositoryURL": "https://code.usgs.gov/water/toxEval.git",
"vcs": "git",

"laborHours": 100,

"tags": [
"R",
"rstats"
],

"languages": [
"R"
],

"contact": {
"name": "Laura DeCicco",
"email": "[email protected]"
},

"date": {
"metadataLastUpdated": "2024-11-22"
}
}
]
2 changes: 1 addition & 1 deletion man/ToxCast_ACC.Rd

Some generated files are not rendered by default. Learn more about how customized files appear on GitHub.

2 changes: 1 addition & 1 deletion vignettes/PrepareData.Rmd
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Expand Up @@ -136,7 +136,7 @@ Note: Additional columns may be useful to organize the data. These additional co

## Benchmarks

The user may provide a set of concentration benchmarks to be used in place of the ToxCast database. For example, there may be a need to perform similar `toxEval` analysis using EPA aquatic life benchmarks to compare measured concentrations against established toxicity thresholds. The "Benchmarks" sheet is used for this purpose. For more information, see [here](https://rconnect.usgs.gov/toxEval_docs/articles/benchmarks.html).
The user may provide a set of concentration benchmarks to be used in place of the ToxCast database. For example, there may be a need to perform similar `toxEval` analysis using EPA aquatic life benchmarks to compare measured concentrations against established toxicity thresholds. The "Benchmarks" sheet is used for this purpose. For more information, see [here](https://doi-usgs.github.io/toxEval/articles/benchmarks.html).

The "Benchmarks" sheet is optional, but if used, five columns are required: "CAS", "Chemical", "endPoint", "Value", and "groupCol". They can be in any order, but the first row of the sheet should be the header (column names).

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2 changes: 1 addition & 1 deletion vignettes/update_data.Rmd
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Expand Up @@ -152,7 +152,7 @@ tox_chemicals41 <- mc5_raw |>

We need molecular weights to convert the ACC values to concentrations. We can either join previous versions of the toxEval package, and/or get new values from the CompTox Dashboard via the batch search:

<https://comptox.epa.gov/dashboard/batch-search\>
<https://comptox.epa.gov/dashboard/batch-search/>

To create a list of chemicals to input to the dashboard:

Expand Down
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