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Re: Use of calculated column functions [message #815 is a reply to message #814] Wed, 11 March 2020 22:25 Go to previous messageGo to previous message
nbehrnd is currently offline  nbehrnd
Messages: 224
Registered: June 2019
Senior Member
To showcase this function with a minimal working example (attached below), I set up
a new file with benzene, toluene, and the xylenes in the first column, and their then
molecular masses calculated by DW in the second column. Subsequently, a third column
was generated (Data -> Add Calculated Values). Instead of an IC50 value, the MW was
used as threshold criterion -- available from the pull-down menu next to «Add Variable»
-- which was combined into
(TotalMolweight < 80) == 1
as test condition.

index.php?t=getfile&id=160&private=0

Page http://www.openmolecules.org/help/jep.html offers additional insight about the
functions and syntax available.

[Updated on: Wed, 11 March 2020 22:35]

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