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Expand Up @@ -34,26 +34,27 @@ At least some of the data in the following sources is accesible through
documentation
[here](https://docs.ropensci.org/webchem/reference/index.html).

- [Alan Wood’s Compendium of Pesticide Common
Names](http://www.alanwood.net/pesticides/)
- [ChEBI](https://www.ebi.ac.uk/chebi/)
- [Chemical Identifier Resolver
- [BCPC Compendium of Pesticide Common
Names](https://pesticidecompendium.bcpc.org) (formerly Alan Wood’s
Compendium of Pesticide Common Names)
- [ChEBI](https://www.ebi.ac.uk/chebi/)
- [Chemical Identifier Resolver
(CIR)](http://cactus.nci.nih.gov/chemical/structure)
- [Chemical Translation Service
- [Chemical Translation Service
(CTS)](http://cts.fiehnlab.ucdavis.edu/)
- [ChemIDplus](https://chem.nlm.nih.gov/chemidplus/)
- [ChemSpider](http://www.chemspider.com/) (requires an [API
token](\(https://developer.rsc.org/\)))
- [ETOX](http://webetox.uba.de/webETOX/index.do)
- [Flavornet](http://www.flavornet.org)
- [NIST](https://webbook.nist.gov) (currently gas chromatography
- [ChemIDplus](https://chem.nlm.nih.gov/chemidplus/)
- [ChemSpider](http://www.chemspider.com/) (requires an [API
token]((https://developer.rsc.org/)))
- [ETOX](http://webetox.uba.de/webETOX/index.do)
- [Flavornet](http://www.flavornet.org)
- [NIST](https://webbook.nist.gov) (currently gas chromatography
retention indices only)
- [OPSIN](http://opsin.ch.cam.ac.uk/instructions.html)
- [PAN Pesticide Database](http://www.pesticideinfo.org/)
- [PubChem](https://pubchem.ncbi.nlm.nih.gov/)
- [U.S. EPA Substance Registry Service
- [OPSIN](http://opsin.ch.cam.ac.uk/instructions.html)
- [PAN Pesticide Database](http://www.pesticideinfo.org/)
- [PubChem](https://pubchem.ncbi.nlm.nih.gov/)
- [U.S. EPA Substance Registry Service
(SRS)](https://cdxnodengn.epa.gov/cdx-srs-rest/)
- [Wikidata](https://www.wikidata.org/wiki/Wikidata:WikiProject_Chemistry)
- [Wikidata](https://www.wikidata.org/wiki/Wikidata:WikiProject_Chemistry)

#### API keys

Expand All @@ -79,37 +80,37 @@ install_github("ropensci/webchem")
### Use Cases

Have you used `webchem` in your work? Please let us know by opening an
issue or making a pull request to edit this section\!
issue or making a pull request to edit this section!

- Allaway RJ, La Rosa S, Guinney J, Gosline SJC (2018) Probing the
- Allaway RJ, La Rosa S, Guinney J, Gosline SJC (2018) Probing the
chemical–biological relationship space with the Drug Target
Explorer. Journal of Cheminformatics 10:41.
<https://doi.org/10.1186/s13321-018-0297-4>
- Bergmann AJ, Points GL, Scott RP, et al (2018) Development of
- Bergmann AJ, Points GL, Scott RP, et al (2018) Development of
quantitative screen for 1550 chemicals with GC-MS. Anal Bioanal Chem
410:3101–3110. <https://doi.org/10.1007/s00216-018-0997-7>
- Brokl M, Morales V, Bishop L, et al (2019) Comparison of Mainstream
- Brokl M, Morales V, Bishop L, et al (2019) Comparison of Mainstream
Smoke Composition from CR20 Resin Filter and Empty-Cavity Filter
Cigarettes by Headspace SPME Coupled with GC×GC TOFMS and
Chemometric Analysis. Beiträge zur Tabakforschung
International/Contributions to Tobacco Research 28:231–249.
<https://doi.org/10.2478/cttr-2019-0004>
- Münch D, Galizia CG (2016) DoOR 2.0 - Comprehensive Mapping of
- Münch D, Galizia CG (2016) DoOR 2.0 - Comprehensive Mapping of
Drosophila melanogaster Odorant Responses. Scientific Reports
6:21841. <https://doi.org/10.1038/srep21841>

### Citation

If you use `webchem` in a publication, please cite our paper:

- Szöcs E, Stirling T, Scott ER, et al (2020) webchem: An R Package to
- Szöcs E, Stirling T, Scott ER, et al (2020) webchem: An R Package to
Retrieve Chemical Information from the Web. J Stat Soft 93:.
<https://doi.org/10.18637/jss.v093.i13>

### Acknowledgements

Without the fantastic web services `webchem` wouldn’t be here.
Therefore, kudos to the web service providers and developers\! Please
Therefore, kudos to the web service providers and developers! Please
remember to acknowledge these data resources in your work using
`webchem`.

Expand All @@ -120,12 +121,12 @@ here](https://github.com/ropensci/webchem/blob/master/CONTRIBUTING.md).

### Meta

- Please [report any issues, bugs or feature
- Please [report any issues, bugs or feature
requests](https://github.com/ropensci/webchem/issues).
- License: MIT
- Get citation information for `webchem` in R with
- License: MIT
- Get citation information for `webchem` in R with
`citation("webchem")`
- Please note that this package is released with a [Contributor Code
- Please note that this package is released with a [Contributor Code
of Conduct](https://ropensci.org/code-of-conduct/). By contributing
to this project, you agree to abide by its terms.

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