R Observatory: Metrics for chemmodlab version 2.0.0

Balamuta, James Joseph

doi:10.5281/zenodo.21843040

This package was removed from CRAN on 2024-05-14. Its history is shown below.

Reason: requires archived package 'MSQC'

Details below reflect version 2.0.0, its last release before removal.

chemmodlab

2.0.0

A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models

0packages depend

–downloads / year

–test coverage

–checks pass

Overview

About

Maintained by Jeremy Ash3 releasesCRAN page ↗GitHub ↗

Contains a set of methods for fitting models and methods for validating the resulting models. The statistical methodologies comprise a comprehensive collection of approaches whose validity and utility have been accepted by experts in the Cheminformatics field. As promising new methodologies emerge from the statistical and data-mining communities, they will be incorporated into the laboratory. These methods are aimed at discovering quantitative structure-activity relationships (QSARs). However, the user can directly input their own choices of descriptors and responses, so the capability for comparing models is effectively unlimited.

Install

R (source archive)pak (dev)Ubuntu (r2u)openSUSE (OBS)

url <- "https://cran.r-project.org/src/contrib/Archive/chemmodlab/chemmodlab_2.0.0.tar.gz"
pkgFile <- "chemmodlab_2.0.0.tar.gz"
download.file(url, pkgFile)
install.packages(pkgFile, type = "source", repos = NULL)

This package is no longer on CRAN, so install.packages() cannot fetch it by name. This downloads the last archived source (2.0.0) and builds it locally. Install its dependencies first, and note that building from source needs the usual compiler toolchain.

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

Development version from jrash/ChemModLab. 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-chemmodlab

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

# 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-chemmodlab

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

Health

CRAN checks

CRAN check results are not tracked yet.

Code health

None

Tests · ratio 0.00

not tracked

Coverage

100%

Documentation · exports

19

Dependencies · direct

Documentation

READMENoVignettesNopkgdown siteNoNEWSYes · 100% structuredCode of conductNoContributing guideNo

Examples that run: 100%
Documented parameters: 94%
Return-value docs: 22%
References docs: 25%

Downloads

Releases R versions

Daily download trend is not available in this view yet.

Compare downloads with other packages →

Also on102 r2u17 autocran

Dependencies

Declared dependencies

15 external dependencies (excludes base and recommended)

Depends (1)

R >= 3.6.0

Imports (19)

KernSmoothMSQCclasse1071 elasticnet larsMASSnnet(>= 7.3.12)pROC randomForest rpart(>= 4.1.10)tree pls caretstatsgraphicsgrDevicesutilsmethods

LinkingTo (0)

none

Suggests (4)

knitr rmarkdown testthat vdiffr

Enhances (0)

none

Dependency license breakdown →

Reverse dependencies

0direct

–indirect (not tracked)

Nothing depends on this yet.

Code & Tests

Datasets

People & History

People (3)

Maintainer (1)

Jeremy Ash

Author, Maintainer

Authors (3)

Jeremy Ash

Author, Maintainer

Jacqueline Hughes-Oliver

Author

Atina Brooks

Author

Package Timeline

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

R
R 4.5.0 released · 2025-04-11
archivedRemoved from CRAN
2024-05-14
requires archived package 'MSQC'
R
R 4.4.0 released · 2024-04-24
R
R 4.3.0 released · 2023-04-21
2.0.0
2022-05-01 · diff ↗
R
R 4.2.0 released · 2022-04-22
R
R 4.1.0 released · 2021-05-18
1.1.0
2020-09-07 · diff ↗
R
R 4.0.0 released · 2020-04-24
R
R 3.6.0 released · 2019-04-26
R
R 3.5.0 released · 2018-04-23
1.0.0
2017-04-21
R
R 3.4.0 released · 2017-04-21
R
R 3.3.0 released · 2016-05-03

Package metadata

Total releases: 3
License: GPL-3 OSI
Minimum R: ≥ 3.6.0
Bundled data: 142 KB / 2 files
Download size: not tracked yet
Installed size: not tracked yet
With dependencies: not tracked yet

Cite

Cite this package

Run in R for the authors' preferred citation:

citation("chemmodlab")

Format

Hughes-Oliver, J., Ash, J., & Brooks, A. (n.d.). chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models (Version 2.0.0) [Computer software]. Retrieved August 13, 2026, from https://CRAN.R-project.org/package=chemmodlab

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 chemmodlab version 2.0.0 [Data set]. HJJB, LLC. Data release v2026-08-11. https://doi.org/10.5281/zenodo.21843040

From data release v2026-08-11, which the citation names so these numbers can be found later. More on citing and the projects behind them.

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