rcdk

R 패키지 메타데이터와 수집 신호를 모아 봅니다.

Packages / CRAN / rcdk

rcdk

v3.8.2

rcdk

Repository CRANLicense LGPLLifecycle activeNeeds compilation no

Package page Reference Source DOI NEWS

DOI

10.32614/CRAN.package.rcdk

Task views

Chemometrics and Computational Physics

Reverse imports

235

Reverse depends

Core Signals

첫 화면에서 판단해야 할 수집 신호를 먼저 배치합니다.

Task views

Chemometrics and Computational Physics

Reverse imports

235

Reverse depends

Supported Backends

DESCRIPTION에서 감지한 backend 관련 package입니다.

backend package 신호가 없습니다.

Quick Facts

기본 메타데이터를 작은 카드와 토큰으로 압축합니다.

profile

Repository

CRAN

Version

3.8.2

License

LGPL

Lifecycle

active

Needs compilation

Reverse depends

Reverse imports

235

Last observed

2026-05-30

CRAN: cran.r-project.org/package=rcdk

수집 소스별 패키지 정보

1개 소스

CRAN

3.8.2

2026-05-30

License

LGPL

Depends

rcdklibs (>= 2.9)

Imports

fingerprint, rJava, methods, png, iterators, itertools

Suggests

xtable, RUnit, knitr, rmarkdown, devtools

Needs compilation

Reverse depends

Reverse imports

235

Lifecycle

active

Last observed

2026-05-30 10:45:11

이 패키지가 의존하는 패키지

5개 표시전체 12개

Package	Type	Spec
rcdklibs CRAN · 3.8.2 · 2026-05-30	Depends	rcdklibs (>= 2.9)
fingerprint CRAN · 3.8.2 · 2026-05-30	Imports	fingerprint
iterators CRAN · 3.8.2 · 2026-05-30	Imports	iterators
itertools CRAN · 3.8.2 · 2026-05-30	Imports	itertools
methods CRAN · 3.8.2 · 2026-05-30	Imports	methods
png CRAN · 3.8.2 · 2026-05-30	Imports	png
rJava CRAN · 3.8.2 · 2026-05-30	Imports	rJava
devtools CRAN · 3.8.2 · 2026-05-30	Suggests	devtools
knitr CRAN · 3.8.2 · 2026-05-30	Suggests	knitr
rmarkdown CRAN · 3.8.2 · 2026-05-30	Suggests	rmarkdown
RUnit CRAN · 3.8.2 · 2026-05-30	Suggests	RUnit
xtable CRAN · 3.8.2 · 2026-05-30	Suggests	xtable
검색 결과가 없습니다.

1 / 3

이 패키지를 쓰는 패키지

5개 표시전체 9개

Package	Type	Spec
LipinskiFilters 1.0.1 CRAN · 2026-05-30	Depends	rcdk (>= 3.8.1)
FastRet 1.3.0 CRAN · 2026-05-30	Imports	rcdk
fioRa 0.3.7 CRAN · 2026-05-30	Imports	rcdk
InterpretMSSpectrum 1.5.3 CRAN · 2026-05-30	Imports	rcdk
pubchem.bio 1.0.5 CRAN · 2026-05-30	Imports	rcdk
rQSAR 1.0.0 CRAN · 2026-05-30	Imports	rcdk (>= 3.8.1)
RxnSim 1.0.4 CRAN · 2026-05-30	Imports	rcdk (>= 3.8.1)
REFT 0.1.4 CRAN · 2026-05-30	Suggests	rcdk
webchem 1.3.1 CRAN · 2026-05-30	Suggests	rcdk
검색 결과가 없습니다.

1 / 2

Reverse dependency summary

3 types

Type	Packages
Depends	1
Imports	6
Suggests	2

패키지 페이지

Reverse depends

Reverse imports

Reverse suggests

All links

Repository: CRAN
Version: 3.8.2
Collected: 2026-05-16 15:53:00
Package page: https://cran.r-project.org/web/packages/rcdk/index.html
DOI: 10.32614/CRAN.package.rcdk
Citation: https://cran.r-project.org/web/packages/rcdk/citation.html
CRAN checks: https://cran.r-project.org/web/checks/check_results_rcdk.html
NEWS: https://cran.r-project.org/web/packages/rcdk/news/news.html
Reference HTML: https://cran.r-project.org/web/packages/rcdk/refman/rcdk.html
Reference PDF: https://cran.r-project.org/web/packages/rcdk/rcdk.pdf
Source package: https://cran.r-project.org/src/contrib/rcdk_3.8.2.tar.gz
Archive: https://CRAN.R-project.org/src/contrib/Archive/rcdk

In views

ChemPhys

Page fields

Author: Rajarshi Guha [aut, cph], Zachary Charlop-Powers [cre], Emma Schymanski [ctb], Egon Willighagen [ctb]
BugReports: https://github.com/CDK-R/cdkr/issues
CRAN Checks: rcdk results
Citation: rcdk citation info
DOI: 10.32614/CRAN.package.rcdk
In Views: ChemPhys
License: LGPL-2 | LGPL-2.1 | LGPL-3 [expanded from: LGPL]
Maintainer: Zachary Charlop-Powers <zach.charlop.powers at gmail.com>
Materials: NEWS , ChangeLog
NeedsCompilation: no
Old Sources: rcdk archive
Package Source: rcdk_3.8.2.tar.gz
Published: 2025-11-30
Reference Manual: rcdk.html , rcdk.pdf
Reverse Depends: LipinskiFilters
Reverse Imports: DeepPINCS , FastRet , fioRa , InterpretMSSpectrum , pubchem.bio , RMassBank , rQSAR , RxnSim
Reverse Suggests: webchem
SystemRequirements: Java (>= 8)
URL: https://github.com/CDK-R/cdkr
Version: 3.8.2
Vignettes: Performance Notes ( source , R code ) Handling Molecular Formulae ( source , R code ) Using the CDK from R ( source , R code )
Windows Binaries: r-devel: rcdk_3.8.2.zip , r-release: rcdk_3.8.2.zip , r-oldrel: rcdk_3.8.2.zip
MacOS Binaries: r-release (arm64): rcdk_3.8.2.tgz , r-oldrel (arm64): rcdk_3.8.2.tgz , r-release (x86_64): rcdk_3.8.2.tgz , r-oldrel (x86_64): rcdk_3.8.2.tgz

Version

3.8.2

Published

2025-11-30

DOI

10.32614/CRAN.package.rcdk

Author

Rajarshi Guha [aut, cph], Zachary Charlop-Powers [cre], Emma Schymanski [ctb], Egon Willighagen [ctb]

https://orcid.org/0000-0001-7403-8819 https://orcid.org/0000-0001-8816-4680 https://orcid.org/0000-0001-6868-8145 https://orcid.org/0000-0001-7542-0286

Maintainer

Zachary Charlop-Powers <zach.charlop.powers at gmail.com>

BugReports

https://github.com/CDK-R/cdkr/issues

License

LGPL-2 | LGPL-2.1 | LGPL-3 [expanded from: LGPL]

LGPL-2 LGPL-2.1 LGPL-3

URL

https://github.com/CDK-R/cdkr

NeedsCompilation

SystemRequirements

Java (>= 8)

Citation

rcdk citation info

Materials

NEWS , ChangeLog

NEWS ChangeLog

In Views

ChemPhys

CRAN Checks

rcdk results

Reference Manual

rcdk.html , rcdk.pdf

rcdk.html rcdk.pdf

Vignettes

Performance Notes ( source , R code ) Handling Molecular Formulae ( source , R code ) Using the CDK from R ( source , R code )

Performance Notes source R code Handling Molecular Formulae source R code Using the CDK from R source R code

Package Source

rcdk_3.8.2.tar.gz

Windows Binaries

r-devel: rcdk_3.8.2.zip , r-release: rcdk_3.8.2.zip , r-oldrel: rcdk_3.8.2.zip

rcdk_3.8.2.zip rcdk_3.8.2.zip rcdk_3.8.2.zip

MacOS Binaries

r-release (arm64): rcdk_3.8.2.tgz , r-oldrel (arm64): rcdk_3.8.2.tgz , r-release (x86_64): rcdk_3.8.2.tgz , r-oldrel (x86_64): rcdk_3.8.2.tgz

rcdk_3.8.2.tgz rcdk_3.8.2.tgz rcdk_3.8.2.tgz rcdk_3.8.2.tgz

Old Sources

rcdk archive

Reverse Depends

LipinskiFilters

Reverse Imports

DeepPINCS , FastRet , fioRa , InterpretMSSpectrum , pubchem.bio , RMassBank , rQSAR , RxnSim

DeepPINCS FastRet fioRa InterpretMSSpectrum pubchem.bio RMassBank rQSAR RxnSim

Reverse Suggests

webchem

Page sections 4

Documentation

Heading

Documentation

Links

[{"label":"rcdk.html","section":"","type":"","url":"https://cran.r-project.org/web/packages/rcdk/refman/rcdk.html"},{"label":"rcdk.pdf","section":"","type":"","url":"https://cran.r-project.org/web/packages/rcdk/rcdk.pdf"},{"label":"Performance Notes","section":"","type":"","url":"https://cran.r-project.org/web/packages/rcdk/vignettes/PerformanceNotes.html"},{"label":"source","section":"","type":"","url":"https://cran.r-project.org/web/packages/rcdk/vignettes/PerformanceNotes.Rmd"},{"label":"R code","section":"","type":"","url":"https://cran.r-project.org/web/packages/rcdk/vignettes/PerformanceNotes.R"},{"label":"Handling Molecular Formulae","section":"","type":"","url":"https://cran.r-project.org/web/packages/rcdk/vignettes/molform.html"},{"label":"source","section":"","type":"","url":"https://cran.r-project.org/web/packages/rcdk/vignettes/molform.Rmd"},{"label":"R code","section":"","type":"","url":"https://cran.r-project.org/web/packages/rcdk/vignettes/molform.R"},{"label":"Using the CDK from R","section":"","type":"","url":"https://cran.r-project.org/web/packages/rcdk/vignettes/rcdk.html"},{"label":"source","section":"","type":"","url":"https://cran.r-project.org/web/packages/rcdk/vignettes/rcdk.Rmd"},{"label":"R code","section":"","type":"","url":"https://cran.r-project.org/web/packages/rcdk/vignettes/rcdk.R"}]

Text

Reference manual: rcdk.html , rcdk.pdf Vignettes: Performance Notes ( source , R code ) Handling Molecular Formulae ( source , R code ) Using the CDK from R ( source , R code )

Downloads

Heading

Downloads

Links

[{"label":"rcdk_3.8.2.tar.gz","section":"","type":"","url":"https://cran.r-project.org/src/contrib/rcdk_3.8.2.tar.gz"},{"label":"rcdk_3.8.2.zip","section":"","type":"","url":"https://cran.r-project.org/bin/windows/contrib/4.7/rcdk_3.8.2.zip"},{"label":"rcdk_3.8.2.zip","section":"","type":"","url":"https://cran.r-project.org/bin/windows/contrib/4.6/rcdk_3.8.2.zip"},{"label":"rcdk_3.8.2.zip","section":"","type":"","url":"https://cran.r-project.org/bin/windows/contrib/4.5/rcdk_3.8.2.zip"},{"label":"rcdk_3.8.2.tgz","section":"","type":"","url":"https://cran.r-project.org/bin/macosx/sonoma-arm64/contrib/4.6/rcdk_3.8.2.tgz"},{"label":"rcdk_3.8.2.tgz","section":"","type":"","url":"https://cran.r-project.org/bin/macosx/big-sur-arm64/contrib/4.5/rcdk_3.8.2.tgz"},{"label":"rcdk_3.8.2.tgz","section":"","type":"","url":"https://cran.r-project.org/bin/macosx/big-sur-x86_64/contrib/4.6/rcdk_3.8.2.tgz"},{"label":"rcdk_3.8.2.tgz","section":"","type":"","url":"https://cran.r-project.org/bin/macosx/big-sur-x86_64/contrib/4.5/rcdk_3.8.2.tgz"},{"label":"rcdk archive","section":"","type":"","url":"https://CRAN.R-project.org/src/contrib/Archive/rcdk"}]

Text

Package source: rcdk_3.8.2.tar.gz Windows binaries: r-devel: rcdk_3.8.2.zip , r-release: rcdk_3.8.2.zip , r-oldrel: rcdk_3.8.2.zip macOS binaries: r-release (arm64): rcdk_3.8.2.tgz , r-oldrel (arm64): rcdk_3.8.2.tgz , r-release (x86_64): rcdk_3.8.2.tgz , r-oldrel (x86_64): rcdk_3.8.2.tgz Old sources: rcdk archive

Reverse dependencies

Heading

Reverse dependencies

Links

[{"label":"LipinskiFilters","section":"","type":"","url":"https://cran.r-project.org/web/packages/LipinskiFilters/index.html"},{"label":"DeepPINCS","section":"","type":"","url":"https://www.bioconductor.org/packages/release/bioc/html/DeepPINCS.html"},{"label":"FastRet","section":"","type":"","url":"https://cran.r-project.org/web/packages/FastRet/index.html"},{"label":"fioRa","section":"","type":"","url":"https://cran.r-project.org/web/packages/fioRa/index.html"},{"label":"InterpretMSSpectrum","section":"","type":"","url":"https://cran.r-project.org/web/packages/InterpretMSSpectrum/index.html"},{"label":"pubchem.bio","section":"","type":"","url":"https://cran.r-project.org/web/packages/pubchem.bio/index.html"},{"label":"RMassBank","section":"","type":"","url":"https://www.bioconductor.org/packages/release/bioc/html/RMassBank.html"},{"label":"rQSAR","section":"","type":"","url":"https://cran.r-project.org/web/packages/rQSAR/index.html"},{"label":"RxnSim","section":"","type":"","url":"https://cran.r-project.org/web/packages/RxnSim/index.html"},{"label":"webchem","section":"","type":"","url":"https://cran.r-project.org/web/packages/webchem/index.html"}]

Text

Reverse depends: LipinskiFilters Reverse imports: DeepPINCS , FastRet , fioRa , InterpretMSSpectrum , pubchem.bio , RMassBank , rQSAR , RxnSim Reverse suggests: webchem

Linking

Heading

Linking

Links

[{"label":"https://CRAN.R-project.org/package=rcdk","section":"","type":"","url":"https://CRAN.R-project.org/package=rcdk"}]

Text

Please use the canonical form https://CRAN.R-project.org/package=rcdk to link to this page.

Materials 2

NEWS ChangeLog

Documentation 11

rcdk.html rcdk.pdf Performance Notes source R code Handling Molecular Formulae source R code Using the CDK from R source R code

Vignettes 9