Similarity methods for count fingerprints

CDK-R / cdkr

Integrating R and the CDK

https://cdk-r.github.io/cdkr/

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Similarity methods for count fingerprints #12

Closed rajarshi closed 4 years ago

rajarshi commented 10 years ago

Update fingerprint package to support similarity calculations for count fingerprints (that actually use the counts). See the Tanimoto class in the CDK sources. Also, the one named with the number 2 is the one that performed the best for me in virtual screening.