chents

The R package chents provides some utilities for working with chemical entities in R, made available under the GNU public license. This means:

This program is free software: you can redistribute it and/or modify it under
the terms of the GNU General Public License as published by the Free Software
Foundation, either version 3 of the License, or (at your option) any later
version.

This program is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
FOR A PARTICULAR PURPOSE.  See the GNU General Public License for more
details.

You should have received a copy of the GNU General Public License along with
this program. If not, see <http://www.gnu.org/licenses/>

Help topics

Class definitions

R6 classes and their methods

  • chent
    An R6 class for chemical entities with associated data
  • pai
    An R6 class for pesticidal active ingredients and associated data

Other

  • draw_svg.chent
    Draw SVG graph from a chent object using RDKit
  • plot.chent
    Plot method for chent objects
  • pp
    R6 class for holding a product with at least one active ingredient
  • print.chent
    Printing method for chent objects
  • print.pai
    Printing method for pai objects (pesticidal active ingredients)

Dependencies

  • Imports: webchem, R6, grImport, PythonInR
  • Suggests: knitr, testthat

Authors