CRAN

rpubchem 1.5.10

An Interface to the PubChem Collection

Released Dec 27, 2016 by Rajarshi Guha

This package can be loaded by Renjin but all tests failed.

Dependencies

fingerprint 3.5.6 iterators 1.0.9 itertools 0.1-3 XML 3.98-1.9 car 2.1-6 RJSONIO 1.3-0 data.table 1.10.4-3 stringr 1.2.0 RCurl base64enc 0.1-3

Access PubChem data (compounds, substance, assays) using R. Structural information is provided in the form of SMILES strings. It currently only provides access to a subset of the precalculated data stored by PubChem. Bio-assay data can be accessed to obtain descriptions as well as the actual data. It is also possible to search for assay ID's by keyword.

Installation

Maven

This package can be included as a dependency from a Java or Scala project by including the following your project's pom.xml file. Read more about embedding Renjin in JVM-based projects.

<dependencies>
  <dependency>
    <groupId>org.renjin.cran</groupId>
    <artifactId>rpubchem</artifactId>
    <version>1.5.10-b13</version>
  </dependency>
</dependencies>
<repositories>
  <repository>
    <id>bedatadriven</id>
    <name>bedatadriven public repo</name>
    <url>https://nexus.bedatadriven.com/content/groups/public/</url>
  </repository>
</repositories>

View build log

Renjin CLI

If you're using Renjin from the command line, you load this library by invoking:

library('org.renjin.cran:rpubchem')

Test Results

This package was last tested against Renjin 0.8.2561 on Dec 22, 2017.

Source

R

View GitHub Mirror

Release History