ScreenMD --Dissimilarity metrics

Hi,





In Screen MD two types of metrics are used, Tanimoto and Euclidean, also the user can give the -M parameter for chooising one specified metrics. But according to the ionput how user can determine which metrics is best for virtual screeniong?





Is there any criteria for that?





Regards,


Jiji

The most common approach is to consider the hit ratio e.g. in term of enrichment over random selection. HitStatistics can produce such kind of information: http://www.chemaxon.com/jchem/doc/user/HitStatistics.html.


Does this help?


Regards,


Miklos

ok it will work..


can you please the follo:





http://www.chemaxon.com/forum/ftopic2520.html





I tried to edit the bat file.Can you help me to edit that properly, because i am not clear that which line i should edit?/

Line 43 in /examples/bin/optimize.bat, just add the -f flag at the end of the line.


hth


m