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RDKit

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Open-source toolkit for cheminformatics
RDKit
Developer(s)Greg Landrum
Initial release2006; 19 years ago (2006)
Stable release2023.03.1 / March 30, 2023; 21 months ago (2023-03-30)
Repository
Written inC++ and Python
Operating systemLinux, Mac OS X, and Microsoft Windows
PlatformMany
Available inEnglish
TypeChemoinformatics
LicenseBSD License 2.0
Websitewww.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#.

References

  1. Brown N (2015). "Appendix D: RDKit". In Silico Medicinal Chemistry: Computational Methods to Support Drug Design. : Royal Society of Chemistry. pp. 199–200. ISBN 978-1-78262-260-4.

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