rcdk

swMATH24313CRANrcdkMaRDI QIDQ36071

Interface to the 'CDK' Libraries

Rajarshi Guha

Last update: 1 July 2023

Software version identifier: 3.7.0, 2.4, 2.5, 2.6.1, 2.7, 2.8.1, 2.8, 2.9.2, 2.9.3, 2.9.4, 2.9.6, 2.9.19, 2.9.20, 2.9.21, 2.9.23, 3.0.1, 3.0.3, 3.0.4, 3.0.5, 3.0, 3.1.1, 3.1.2, 3.1.3, 3.1.4, 3.1.7, 3.1.8.1, 3.1.9, 3.1.20.1, 3.1.21, 3.2.0.2, 3.2.3.2, 3.2.9.1, 3.3.0, 3.3.1, 3.3.2, 3.3.5, 3.3.6, 3.3.8, 3.4.3, 3.4.5, 3.4.7.1, 3.4.7.2, 3.4.7, 3.5.0, 3.6.0, 3.8.0, 3.8.1

Source code repository: https://github.com/cran/rcdk

Copyright license: GNU Library General Public License, version 2.0, GNU Lesser General Public License, version 2.1, GNU Lesser General Public License, version 3.0

Description

Allows the user to access functionality in the 'CDK', a Java framework for chemoinformatics. This allows the user to load molecules, evaluate fingerprints, calculate molecular descriptors and so on. In addition, the 'CDK' API allows the user to view structures in 2D.