2023.03.1
/ March 30, 2023; 12 months ago (2023-03-30)
Repository
github.com/rdkit/rdkit
Written in
C++ and Python
Operating system
Linux, Mac OS X, and Microsoft Windows
Platform
Many
Available in
English
Type
Chemoinformatics
License
BSD License 2.0
Website
www.rdkit.org
RDKit is open-source toolkit for cheminformatics. It was developed by Greg Landrum with numerous additional contributions from the RDKit open source community. It has an application programming interface (API) for Python, Java, C++, and C#.[1]
^Brown N (2015). "Appendix D: RDKit". In Silico Medicinal Chemistry: Computational Methods to Support Drug Design. [Cambridge]: Royal Society of Chemistry. pp. 199–200. ISBN 978-1-78262-260-4.
RDKit is open-source toolkit for cheminformatics. It was developed by Greg Landrum with numerous additional contributions from the RDKit open source community...
kode-solutions.net/products_dragon.php Mordred 1826 No Yes No No Based on RDKit Free open source https://github.com/mordred-descriptor PaDEL-descriptor...
PMID 34771379. SAMSON Connect SAMSON 0.7.0 is available - Macs in Chemistry RDKit in SAMSON - Macs in Chemistry Vaucher, Alain C.; Reiher, Markus (2016)....