openmolecules.org

 
Home » DataWarrior » Functionality » Nasty functions (relation to PAINS?)
Nasty functions [message #1773] Mon, 21 November 2022 06:32 Go to previous message
sansun is currently offline  sansun
Messages: 49
Registered: April 2019
Member
The datawarrior has option to calculate 'nasty' functions.

Is there a definition for these?

How similar or different are these from PAINS alerts or Eli Lilly Med Chem rules?



Thanks in advance.
 
Read Message
Read Message
Previous Topic: Generate tautomers
Next Topic: ChemAxon plugin
Goto Forum:
  


Current Time: Fri Nov 22 04:46:28 CET 2024

Total time taken to generate the page: 0.03901 seconds