On Thu, Apr 26, 2012 at 1:39 AM, Jochen Schreiber <[email protected]> wrote:
> And my last question is: Have anyone experience or something else with > comparing manhatten and tanimoto. Is there a way that i can do that? One empirical approach is to evaluate pairwise similarities for a set of molecules and generate a histogram of the similarity values. Doing this for the two metrics would give you two distributions which you could fit and then identify the similarity values that give you a similar proportion of molecules above that cutoff. -- Rajarshi Guha | http://blog.rguha.net NIH Center for Advancing Translational Science ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
