openmolecules.org

 
Home » DataWarrior » Functionality » Calculate LE & Tox - IC50 column not chooseable
Calculate LE & Tox - IC50 column not chooseable [message #89] Mon, 10 August 2015 22:36
mvamos is currently offline  mvamos
Messages: 24
Registered: January 2015
Location: US
Junior Member
When I try to add the Lipophilic Ligand Efficiency calculation, under the LE & Tox tab of the Calculate Chemical Properties window, the problem is that DW does not give the option for the Ki or IC50 column that I need to select.

I've attached a screen shot to explain. The STS IC50 column isn't the one that I want, but there are two other IC50 columns that are in my table but that I cannot choose in the drop down list shown.

Any idea why this would be?

I created this file by merging some of the columns from an SD file with other data columns from a CSV file (this one had the IC50 data columns).

EDIT: I just realized that the columns in question had letters in some of the rows that carried over from failed Excel formula calculations. Once I corrected those cells everything worked fine! Sorry for the confusion.

[Updated on: Mon, 10 August 2015 23:56]

Report message to a moderator

Previous Topic: Interactive calculation of statistical parameters like N and stdev
Next Topic: tip on add calculated values
Goto Forum:
  


Current Time: Thu Nov 21 22:53:25 CET 2024

Total time taken to generate the page: 0.03453 seconds