Use of calculated column functions [message #814] |
Wed, 11 March 2020 11:09 ![Go to next message Go to next message](/forum/theme/myThemeWithHFCSS/images/down.png) |
sansun
Messages: 49 Registered: April 2019
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Member |
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I have a file with the bioactivity column for several molecules.
I want to create a new column so that molecules with IC50 less than value 'x' are annotated as '1' while those with more than 'y' value labelled as '0'.
I understand that it can be done bey 'Calculated column' but I am not able to figure out the exact formula.
Any help is appreciated.
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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 message Go to previous message](/forum/theme/myThemeWithHFCSS/images/up.png) ![Go to next message Go to next message](/forum/theme/myThemeWithHFCSS/images/down.png) |
nbehrnd
Messages: 215 Registered: June 2019
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Senior Member |
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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](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] Report message to a moderator
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