Re: [Rdkit-discuss] ErG: 2D Pharmacophore Similarity Searches

2017-09-03 Thread Francois BERENGER
On 09/02/2017 11:05 PM, Konrad Koehler wrote: > Hi everyone, > > As a followup to my previous post, in reading the Stiefl paper (Chem. > Inf. Model. 2006, 46, 208-220) closer, I see my question about > converting ErG numpy array into a bit vector was a little naive. It > turns out that ErG

[Rdkit-discuss] ErG: 2D Pharmacophore Similarity Searches

2017-09-02 Thread Konrad Koehler
Hi everyone, As a followup to my previous post, in reading the Stiefl paper (Chem. Inf. Model. 2006, 46, 208-220) closer, I see my question about converting ErG numpy array into a bit vector was a little naive. It turns out that ErG array contains floating point numbers, not integers. One