openmolecules.org Forum: Functionality » Question about R-group occurences estimation

Home » DataWarrior » Functionality » Question about R-group occurences estimation

Tue, 21 January 2020 16:02

jvolvr
Messages: 1
Registered: January 2020
Location: Brazil

Junior Member

Is there a way to calculate the number of occurrences of a given group (e.g. hydroxyls, methyls) in my data set through the SMILES of my compounds?

		Question about R-group occurences estimation By: jvolvr on Tue, 21 January 2020 16:02
		Re: Question about R-group occurences estimation By: thomas on Tue, 21 January 2020 21:14
		Re: Question about R-group occurences estimation By: nbehrnd on Tue, 11 February 2020 14:53
		Re: Question about R-group occurences estimation By: thomas on Wed, 12 February 2020 19:40

Previous Topic:	table view missing
Next Topic:	Postgresql connection

Goto Forum:

] [

]

Current Time: Sat Apr 27 01:11:32 CEST 2024

Total time taken to generate the page: 0.03837 seconds