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Re: question about 'analyse similarity/activity cliffs' function [message #639 is a reply to message #595] Mon, 30 September 2019 14:18 Go to previous messageGo to previous message
pmallard is currently offline  pmallard
Messages: 2
Registered: September 2019
Junior Member
Dear Thomas,

I have some issue with the structure similarity filter.
I have a large set of structures (>10M) which I imnported from csv and FragFp has been automatically calculated.
Most of the structures display well. I am able to a "contain" search and look for molecules containing the structure I just drawed.
However the "is similar to [FragFp]" function doesn not work.
No error message is returned however the search is not working and the filter is automatically switched to the "disable filter" mode when I run it ....

Any clue ?
Many thanks for this excellent software !


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