diff --git a/README.md b/README.md index 5f23692e..af4e7247 100644 --- a/README.md +++ b/README.md @@ -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 @@ -79,22 +80,22 @@ 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. - - 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. - - 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. - - 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. @@ -102,14 +103,14 @@ issue or making a pull request to edit this section\! 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:. ### 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`. @@ -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.