openmolecules.org

 
Home » DataWarrior » Cheminformatics » Use of calculated column functions
Re: Use of calculated column functions [message #816 is a reply to message #815] Thu, 12 March 2020 11:43 Go to previous messageGo to previous message
sansun is currently offline  sansun
Messages: 45
Registered: April 2019
Member
Thanks a lot.

However, with your example molecules with Mwt = 80 are labelled as 0 but all others are labelled as 1.

My problem is slightly different. For example, I want '1' only for the molecules with Mwt > 100.

I don't want any value (or want some distinct value e.g. '3'Wink for molecules with Mwt between 80-100.

I am trying to find other ways. Let me know if you get some idea.

Thanks again!
 
Read Message
Read Message
Read Message
Read Message
Read Message
Read Message
Previous Topic: SureChEMBL
Next Topic: Suggested addition: mirror access to Tautobase.dwar
Goto Forum:
  


Current Time: Mon May 06 04:23:14 CEST 2024

Total time taken to generate the page: 0.03604 seconds