From 6b9d255583aa798482cd02e0a27cda0c7867a39e Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Fri, 26 Nov 2021 16:15:21 +0100 Subject: Update README after switching to reticulate --- README.html | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) (limited to 'README.html') diff --git a/README.html b/README.html index 17bbc50..fe667f3 100644 --- a/README.html +++ b/README.html @@ -363,13 +363,13 @@ pre code {

chents

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Build Status codecov

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Build Status codecov

The R package chents provides some utilities for working with chemical entities in R.

Features

  • Some chemical information is retrieved from the PubChem website using the webchem package
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  • If PythonInR is installed and configured, and RDKit is available via PythonInR, some additional chemical information is computed and a 2D graph can be plotted
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  • If Python and RDKit (> 2015.03) are installed and configured for use with ‘reticulate’, some basic chemoinformatics functions some additional chemical information is computed and a 2D graph can be plotted
  • Additional information can be read from a local .yaml file
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