openmolecules.org

 
Home » DataWarrior » Functionality » Nasty functions (relation to PAINS?)
Re: Nasty functions [message #1774 is a reply to message #1773] Mon, 21 November 2022 10:43 Go to previous message
thomas is currently offline  thomas
Messages: 731
Registered: June 2014
Senior Member
Nasty functions are a list of small substructure fragments (attached to this message), originally defined by medicinal chemists at Actelion, which should be avoided or limited when purchasing screening compounds from providers.
 
Read Message
Read Message
Previous Topic: Generate tautomers
Next Topic: ChemAxon plugin
Goto Forum:
  


Current Time: Sat Jul 05 16:16:32 CEST 2025

Total time taken to generate the page: 0.06152 seconds