Generate possible molecules from a dataset #Chemoinformatics #RDKit

Recently @dr_greg_landrum  shared very cool Knime work flow which can enumerate possible molecules from given dataset. You can get the Work flow from following URL.https://workflows.knime.com/knime/hub/workflows/99_Community%3A03_RDKit%3A10_Enumerate_Extra_Patent_CompoundsThis work flow is really useful and elegant. If you have interested in, I recommend to use it!!!And Patrick Walters disclosed nice code for Free-Wilson analysis on github.https://github.com/PatWalters/Free-Wilson Inspired these niceContinue reading “Generate possible molecules from a dataset #Chemoinformatics #RDKit”

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