R Observatory: Metrics for webchem version 1.3.1

Balamuta, James Joseph

doi:10.5281/zenodo.21843040

webchem

1.3.1

Chemical Information from the Web

4packages depend

17.9Kdownloads / year

60.8%test coverage

8/13checks pass

Overview

About

Maintained by Tamás StirlingFirst published 2015-03-0620 releasesCRAN page ↗GitHub ↗

Chemical information from around the web. This package interacts with a suite of web services for chemical information. Sources include: Alan Wood's Compendium of Pesticide Common Names, Chemical Identifier Resolver, ChEBI, Chemical Translation Service, ChemSpider, ETOX, Flavornet, NIST Chemistry WebBook, OPSIN, PubChem, SRS, Wikidata.

Install

R (CRAN)pak (dev)Ubuntu (r2u)Fedora (COPR)openSUSE (OBS)

install.packages("webchem", repos = "https://cloud.r-project.org/")

Installs the current CRAN release. Prebuilt binaries on Windows and macOS.

if (!requireNamespace("pak", quietly = TRUE))
  install.packages("pak", repos = "https://cloud.r-project.org/")
pak::pak("ropensci/webchem")

Development version from ropensci/webchem. Installs pak first if it is not already available.

Release

# enable cranapt (r2u) if it is not already set up, then install
grep -rqs r2u.stat.illinois.edu /etc/apt/sources.list /etc/apt/sources.list.d/ \
  || curl -fsSL https://raw.githubusercontent.com/eddelbuettel/r2u/master/inst/scripts/add_cranapt_noble.sh | sudo bash
sudo apt install -y r-cran-webchem

Fast Ubuntu binaries via r2u (no compilation). The cranapt setup runs once and is skipped when it is already enabled.

bspm (used by r2u) also needs make: sudo apt install make

# enable the iucar/cran COPR if it is not already present, then install
ls /etc/yum.repos.d/*iucar*cran*.repo >/dev/null 2>&1 \
  || sudo dnf copr enable -y iucar/cran
sudo dnf install -y R-CRAN-webchem

RPMs from the iucar/cran COPR, rebuilt from CRAN.

For install.packages() integration in R, also: sudo dnf install R-CoprManager

# add the autoCRAN OBS repo (Tumbleweed) if it is missing, then install
zypper -q lr | grep -qi autoCRAN \
  || sudo zypper addrepo https://download.opensuse.org/repositories/devel:/languages:/R:/autoCRAN/openSUSE_Tumbleweed/devel:languages:R:autoCRAN.repo
sudo zypper install -y R-webchem

RPMs auto-built from CRAN on openSUSE OBS (Tumbleweed).

Health

CRAN checks

5NOTE8OK

Failing flavors

NOTE r-devel-linux-x86_64-debian-clang
NOTE r-devel-linux-x86_64-debian-gcc
NOTE r-devel-linux-x86_64-fedora-clang
NOTE r-devel-linux-x86_64-fedora-gcc
NOTE r-devel-windows-x86_64

Slowest check: 2.1 min · r-oldrel-windows-x86_64

Code health

Yes

Tests · ratio 1.50

60.8%

Coverage · measured lines

100%

Documentation · exports

13

Dependencies · direct

Check history

NOTE2026-07-16
11 OK · 2 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
OK2026-03-10
14 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE

Documentation

READMENoVignettesYes · dynamicpkgdown siteNoNEWSYes · 100% structuredCode of conductNoContributing guideNo

Examples that run: 12%
Documented parameters: 98%
Return-value docs: 87%
References docs: 65%

Downloads

17.9K

CRAN downloads in the past year

Rank #3,231 · ~49/day · ~1.5K/mo

Releases R versions

Daily download trend is not available in this view yet.

82930 days

3.5K90 days

17.9K1 year

Compare downloads with other packages →

Also on240 r2u20 autocran1.9K conda_forge67 c2d4u

Repository

GitHub ↗ ropensci/webchem

186Stars

43Forks

56Open issues

6Open PRs

20Releases

1,995Commits

18Contributors

rstatsropenscichemical-informationwebscrapingcas-numberchemspideridentifierr

1,995 commits · Last activity 2026-08-21

Issues over time

2026-07-14 · 582026-08-12 · 56

Repository practices

Upstream repositoryBeta

9 development-tooling and community-health practices detected across 8 families in the upstream repository

Checks run against github.com/ropensci/webchem on 2026-08-16.

Continuous integration (1)

GitHub Actions

CRAN release process (1)

cran-comments.md

Docs source (1)

README.Rmd

Research and citation (1)

codemeta.json

Show all practices

Lint, format, editor (1)

RStudio project

Coverage (1)

Codecov

Governance and community (2)

Issue templatesPR template

Git structural (1)

.gitattributes

How this is detected·Detection ruleset v1 (2026-07-18)

Dependencies

Declared dependencies

20 external dependencies (excludes base and recommended)

Depends (1)

R >= 4.1.0

Imports (13)

xml2 httr rvest jsonlite stringrmethodsdplyr purrr data.tree tibble base64enc rlangutils

LinkingTo (0)

none

Suggests (9)

testthat rcdk covr robotstxt knitr rmarkdown plot.matrix usethis vcr

Enhances (0)

none

Dependency license breakdown →

Reverse dependencies

4direct

0indirect

MetabolomicsBasics REFT chemodiv ECOTOXr

Code & Tests

Datasets

People & History

People (11)

Maintainer (1)

Tamás Stirling

Contributor, Maintainer · added in 0.5.0

Authors (1)

Eduard Szöcs

Author · added in 0.0.4.0

Contributors (10)

Tamás Stirling

Contributor, Maintainer · added in 0.5.0

Robert Allaway

Contributor · added in 0.4.0

Ethan Bass

Contributor · added in 1.3.0

João Vitor F Cavalcante

Contributor · added in 1.1.0

Gordon Getzinger

Contributor · added in 0.5.0

Daniel Muench

Contributor · added in 0.0.2

Johannes Ranke

Contributor · added in 0.2

Andreas Scharmüller

Contributor · added in 0.5.0

Show 2 more contributors

Eric R Scott

Contributor · added in 0.5.0

Jan Stanstrup

Contributor · added in 0.4.0

Listed in earlier versions (2)

Eduard Szoecs

no longer listed · 0.0.1 to 0.0.3.1

Eric Scott

no longer listed · 0.2 to 0.4.0

Package Timeline

20 releases. Pick two to compare their code metrics. R releases are shown for context.

R
R 4.6.0 released · 2026-04-24
1.3.1Latest
2025-07-16 · current release · diff ↗
R
R 4.5.0 released · 2025-04-11
R
R 4.4.0 released · 2024-04-24
1.3.0
2023-06-09 · diff ↗
R
R 4.3.0 released · 2023-04-21
1.2.0
2022-11-02 · diff ↗
1.1.3
2022-06-15 · diff ↗
R
R 4.2.0 released · 2022-04-22
1.1.2
2021-12-06 · diff ↗
R
R 4.1.0 released · 2021-05-18
1.1.1
2021-02-07 · diff ↗
1.1.0
2020-10-02 · diff ↗
1.0.0
2020-05-28 · diff ↗
R
R 4.0.0 released · 2020-04-24
0.5.0
2020-03-02 · diff ↗

Show 17 earlier events

R
R 3.6.0 released · 2019-04-26
R
R 3.5.0 released · 2018-04-23
0.4.0
2018-04-07 · diff ↗
0.3.0
2017-10-20 · diff ↗
R
R 3.4.0 released · 2017-04-21
0.2
2017-03-19 · diff ↗
0.1.1.1
2016-11-18 · diff ↗
R
R 3.3.0 released · 2016-05-03
0.1.0.0
2016-03-03 · diff ↗
0.0.5.0
2016-01-29 · diff ↗
0.0.4.0
2015-12-09 · diff ↗
0.0.3.1
2015-09-27 · diff ↗
0.0.3
2015-09-25 · diff ↗
0.0.2
2015-08-15 · diff ↗
R
R 3.2.0 released · 2015-04-16
0.0.1
2015-03-06
R
R 3.1.0 released · 2014-04-10

Package metadata

First published: 2015-03-06
Total releases: 20 / 11 yrs
License: MIT + file LICENSE OSI
Minimum R: ≥ 4.1.0
Bundled data: 3.5 KB / 2 files
Download size: 129 KB
Installed size: not tracked yet
With dependencies: not tracked yet

Appears in task views

Chemometrics and Computational Physics

Cite

Cite this package

Run in R for the authors' preferred citation:

citation("webchem")

Format

Stirling, T., Allaway, R., Bass, E., F Cavalcante, J. V., Getzinger, G., Muench, D., Ranke, J., Scharmüller, A., Scott, E. R., Stanstrup, J., & Szöcs, E. (2025). webchem: Chemical Information from the Web (Version 1.3.1) [Computer software]. https://doi.org/10.32614/CRAN.package.webchem

This is what citation() produces when a package has no citation file of its own. If it prints something else, use that.

Cite the R Observatory

For a number measured here: a download total, a coverage figure, an archival date.

Format

APA

Balamuta, J. J. (2026). R Observatory: Metrics for webchem version 1.3.1 [Data set]. HJJB, LLC. Data release v2026-08-22. https://doi.org/10.5281/zenodo.21843040

From data release v2026-08-22, which the citation names so these numbers can be found later. More on citing and the projects behind them.

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