recipe bioconductor-chemminer

Cheminformatics Toolkit for R

Homepage:

https://bioconductor.org/packages/3.16/bioc/html/ChemmineR.html

License:

Artistic-2.0

Recipe:

/bioconductor-chemminer/meta.yaml

Links:

biotools: chemminer

ChemmineR is a cheminformatics package for analyzing drug-like small molecule data in R. Its latest version contains functions for efficient processing of large numbers of molecules, physicochemical/structural property predictions, structural similarity searching, classification and clustering of compound libraries with a wide spectrum of algorithms. In addition, it offers visualization functions for compound clustering results and chemical structures.

package bioconductor-chemminer

Versions:

3.50.0-1,  3.50.0-0,  3.46.0-2,  3.46.0-1,  3.46.0-0,  3.44.0-0,  3.42.2-0,  3.42.0-0,  3.40.0-0, 

3.50.0-1,  3.50.0-0,  3.46.0-2,  3.46.0-1,  3.46.0-0,  3.44.0-0,  3.42.2-0,  3.42.0-0,  3.40.0-0,  3.38.0-0,  3.36.0-1,  3.34.1-0,  3.32.1-0,  2.30.0-0,  2.28.3-0

Depends:

• bioconductor-biocgenerics >=0.44.0,<0.45.0

• libblas >=3.9.0,<4.0a0

• libgcc-ng >=12

• liblapack >=3.9.0,<4.0a0

• libstdcxx-ng >=12

• r-base >=4.2,<4.3.0a0

• r-base64enc

• r-bh

• r-dbi

• r-digest

• r-dt

• r-ggplot2

• r-gridextra

• r-jsonlite

• r-png

• r-rcpp >=0.11.0

• r-rcurl

• r-rjson

• r-rsvg

• r-stringi

Required By:

• bioconductor-bioassayr

• bioconductor-compounddb

• bioconductor-metid

• bioconductor-fmcsr

• bioconductor-rmassbank

• bioconductor-eir

• bioconductor-customcmpdb

• bioconductor-chemminedrugs

Installation

With an activated Bioconda channel (see set-up-channels), install with:

conda install bioconductor-chemminer

and update with:

conda update bioconductor-chemminer

or use the docker container:

docker pull quay.io/biocontainers/bioconductor-chemminer:<tag>

(see bioconductor-chemminer/tags for valid values for <tag>)

Download stats

Link to this page

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