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README.Rmd
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---
output: github_document
---
<!-- README.md is generated from README.Rmd. Please edit that file -->
```{r, include = FALSE}
knitr::opts_chunk$set(
collapse = TRUE,
comment = "#>",
fig.path = "man/figures/README-",
out.width = "100%"
)
```
# cactusapi <img src="man/figures/logo.svg" align="right" height="139" />
<!-- badges: start -->
[](https://github.com/RaoulWolf/cactusapi/actions/workflows/R-CMD-check.yaml)
[](https://lifecycle.r-lib.org/articles/stages.html#experimental)
[](https://app.codecov.io/gh/RaoulWolf/cactusapi?branch=master)
<!-- badges: end -->
> A [ZeroPM](https://zeropm.eu/) R package
The goal of the cactusapi package is to provide a minimal and lightweight
interface to the
[CACTUS Chemical Identifier Resolver](https://cactus.nci.nih.gov/chemical/structure)
API services.
The dependency of cactusapi is kept at a bare minimum:
[curl](https://cran.r-project.org/web/packages/curl/index.html) for handling
the API requests.
cactusapi takes a single input and resolves it to either `StdInChi`, `InChI`,
`StdInChIKey`, `InChIKey`, `SMILES`, `Names`, or `IUPAC_Name`.
## Installation
You can install the development version of cccapi from
[GitHub](https://github.com/) with:
``` {r install}
#| eval = FALSE
# install.packages("devtools")
remotes::install_github("ZeroPM-H2020/cactusapi")
```
## Example
This is a basic example which shows you how to get the (standard) InChI
representation of caffeine:
```{r example}
library(cactusapi)
get_representation(
structure_identifier = "caffeine",
representation = "StdInChI"
)
```
## Acknowledgement
This R package was developed by the EnviData initiative at the
[Norwegian Geotechnical Institute (NGI)](https://www.ngi.no/eng) as part of the
project
[ZeroPM: Zero pollution of Persistent, Mobile substances](https://zeropm.eu/).
This project has received funding from the European Union's Horizon 2020
research and innovation programme under grant agreement No 101036756.
---
If you find this package useful and can afford it, please consider making a
donation to a humanitarian non-profit organization, such as
[Sea-Watch](https://sea-watch.org/en/). Thank you.