<?xml version="1.0" encoding="UTF-8"?>
<oai_dc:dc xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:title>Functions to Compute Chemical and Chemical Reaction Similarity</dc:title>
  <dc:title>R package RxnSim version 1.0.4</dc:title>
  <dc:description>Methods to compute chemical similarity between two or more reactions and molecules. Allows masking of chemical substructures for weighted similarity computations. Uses packages 'rCDK' and 'fingerprint' for cheminformatics functionality. Methods for reaction similarity and sub-structure masking are as described in: Giri et al. (2015) &lt;doi:10.1093/bioinformatics/btv416&gt;. </dc:description>
  <dc:type>Software</dc:type>
  <dc:relation>Depends: R (&gt;= 4.3.0)</dc:relation>
  <dc:relation>Imports: methods, rJava, fingerprint, data.table, rcdk (&gt;= 3.8.1)</dc:relation>
  <dc:creator>Varun Giri &lt;varungiri@gmail.com&gt;</dc:creator>
  <dc:publisher>Comprehensive R Archive Network (CRAN)</dc:publisher>
  <dc:contributor>Varun Giri [aut, cre]</dc:contributor>
  <dc:rights>GPL-3</dc:rights>
  <dc:date>2023-07-19</dc:date>
  <dc:format>application/tgz</dc:format>
  <dc:identifier>https://CRAN.R-project.org/package=RxnSim</dc:identifier>
  <dc:identifier>doi:10.32614/CRAN.package.RxnSim</dc:identifier>
</oai_dc:dc>