Hi Greg, > There's an illustration of the representation here: > http://rdkit.org/docs/RDKit_Book.html#representation-of-pharmacophore-fingerprints > Some discussion in the code of the terminology used: > https://github.com/rdkit/rdkit/blob/master/rdkit/Chem/Pharm2D/Generate.py#L11 > and an illustration of the way the distances are defined: > https://github.com/rdkit/rdkit/blob/master/Docs/Code/Chem/Pharm2D.triangles.jpg
thank you, but I found these myself, I was looking for something more thorough, since the code isn't quite self-explanatory. > It's been a while since I really looked at that code, but I don'd think > there's really any reason why support for more than 3 features couldn't > be enabled. So far, I've found this line https://github.com/rdkit/rdkit/blob/master/rdkit/Chem/Pharm2D/SigFactory.py#L231 which might be the problem when using n >= 4, but I have absolutely no idea, why is it there. Any suggestions? Ondrej ------------------------------------------------------------------------------ Site24x7 APM Insight: Get Deep Visibility into Application Performance APM + Mobile APM + RUM: Monitor 3 App instances at just $35/Month Monitor end-to-end web transactions and take corrective actions now Troubleshoot faster and improve end-user experience. Signup Now! http://pubads.g.doubleclick.net/gampad/clk?id=272487151&iu=/4140 _______________________________________________ Rdkit-devel mailing list Rdkit-devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-devel
