Extended Connectivity Fingerprints

girke-lab / ChemmineR

Cheminformatics Toolkit for R

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Closed c1au6i0 closed 8 months ago

c1au6i0 commented 8 months ago

General question: does the package provide functionality to calculate Extended Connectivity Fingerprints?

Thank you

c1au6i0 commented 8 months ago

ah ok got it...ChemmineOB::fingerprintOB