Re: [Rdkit-discuss] numpy array to bit vector

Hi Greg, On Thu, Mar 16, 2017 at 9:05 PM, Greg Landrum wrote: > I'm a bit confused by all this. The RDKit has Tanimoto (and a bunch of > other similarity measures) built in: > > Good point (as always). I'd been assuming that for some reason that OP had fingerprints that

Re: [Rdkit-discuss] numpy array to bit vector

Guys, my question was how to cast a fingerprint in the form of a binary array back to the bit vector form, in order to calculate Tanimoto distances. According to Curt's answer (thanks for that!), I can calculate the Tanimono simply by using binary arrays. distance.jaccard also works with numpy