Proper Citation: RDKit: Open-Source Cheminformatics Software (RRID:SCR_014274)
Description: An open-source cheminformatics and machine-learning toolkit that is useable from Java or Python. It includes a collection of standard cheminformatics functionality for molecule I/O, substructure searching, chemical reactions, coordinate generation (2D or 3D), fingerprinting, etc., as well as a high-performance database cartridge for working with molecules using the PostgreSQL database. Documentation is available on the main website.
Synonyms: RDKit, RDKit Open-Source Cheminformatics and Machine Learning
Resource Type: software toolkit, software resource
Keywords: cheminformatics, machine learning, software toolkit, open source, python, c++, FASEB list
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