RDKit

cheminformatics software

RDKit is …
instance of (P31):
free and open-source softwareQ506883

External links are
P856official websitehttps://www.rdkit.org/
P6931Repology project namerdkit
P1324source code repository URLhttps://github.com/rdkit/rdkit
P2002X (Twitter) usernameRDKit_org

P275copyright license3-clause BSD LicenseQ18491847
P6216copyright statuscopyrightedQ50423863
P8687social media followers1822
P348software version identifier2024.09.2
P1476titleRDKit

Reverse relations

describes a project that uses (P4510)
Q115695014An algorithm to classify homologous series within compound datasets
Q91218352Taxonomically Informed Scoring Enhances Confidence in Natural Products Annotation
Q105742243The LOTUS Initiative for Open Natural Products Research: Knowledge Management through Wikidata
Q112143478The LOTUS initiative for open knowledge management in natural products research

main subject (P921)
Q27902346Bringing the MMFF force field to the RDKit: implementation and validation
Q36088906KNIME Workflow to Assess PAINS Filters in SMARTS Format. Comparison of RDKit and Indigo Cheminformatics Libraries
Q64251797Predicting Blood⁻Brain Barrier Permeability of Marine-Derived Kinase Inhibitors Using Ensemble Classifiers Reveals Potential Hits for Neurodegenerative Disorders
Q64067149TeachOpenCADD: a teaching platform for computer-aided drug design using open source packages and data
Q46405760The integration of Open3DTOOLS into the RDKit and KNIME.

Q109558274DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacologycites workP2860

The articles in Wikimedia projects and languages

      RDKitwikipedia

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