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RDKit

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 applic...

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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]

References

  1. ā†‘Brown, N (2015). "Appendix D: RDKit". In Silico Medicinal Chemistry: Computational Methods to Support Drug Design. [Cambridge]: Royal Society of Chemistry. pp. 199ā€“200. ISBN 978-1-78262-260-4.
  • Official websiteEdit this at Wikidata
  • Rdkit on GitHub