Re: [Open Babel] FP2 fingerprints

2013-04-03 Thread Tim Vandermeersch
Hi, The FP2 fingerprint is a path-based hashed fingerprint. First, all paths (i.e. no branches) up to 7 atoms in the molecule are enumerated. A canonical value for each path is then computed (this is an integer value). Finally these values are hashed using a prime number (1021 for the 1024 bit FP2

[Open Babel] FP2 fingerprints

2013-04-03 Thread G P S Raghava
Dear Colleagues We are uing open babel extensively, it is really useful software for our chemoinformatics work. In open babel, we are unable to understand FP2 descriptors, we need your help. I will highly appreciate if you send URL or document on FP2 fingerprints (how these fingerprints are gene