subject:"\[Rdkit\-discuss\] substructure of a fingerprint position"

Re: [Rdkit-discuss] substructure of a fingerprint position

2017-02-01 Thread George Papadatos

https://iwatobipen.wordpress.com/2017/01/08/get-bit-information-with-rdkit/ George. Sent from my giPhone > On 26 Jan 2017, at 11:02, Gonzalo Colmenarejo > wrote: > > Hi, > > is there a way in RDKit to retrieve the substructure(s) corresponding to a > (hashed

[Rdkit-discuss] substructure of a fingerprint position

2017-01-26 Thread Gonzalo Colmenarejo

Hi, is there a way in RDKit to retrieve the substructure(s) corresponding to a (hashed or unhashed) Morgan fingerprint position? Thanks a lot in advance Gonzalo -- Check out the vibrant tech community on one of the