Post #452007

The #cheminformatics fingerprint tool #chemfp version 5.1b1 is out! https://chemfp.com/ The big feature is integration of the new "superimposed" count simulation method to RDKit byte fingerprint generation. Use it if you want Tanimoto similarity of count fingerprints, but don't want to toss out all of your existing byte fingerprint tools for similarity search, clustering, etc. nor take a big performance loss. Instead, use superimposed and get a ~0.95 recall using "normal" byte fps.