openmolecules.org Forum: Bug Reports » Evolutionary algorithm

Home » DataWarrior » Bug Reports » Evolutionary algorithm (Error)

Show: Today's Messages :: Polls :: Message Navigator

Re: Evolutionary algorithm [message #476 is a reply to message #475]

Thu, 14 February 2019 04:28

pc419714@ohio.edu
Messages: 20
Registered: February 2019

Junior Member

Also, I am wondering about clustering using flexophores. This measure is supposed to give you a measure of biological activity..... Does this mean that it predicts binding to specific proteins? Will it tell you what a given molecule will bind if I generated the flexophores and then clustered? It supposedly takes a lot of time and memory so I wanted to make sure before I did it. I just wanted to know which kinases my molecules bind, so I selected find similar compounds in file for a large data set of known kinase inhibitors and found which ones were similar. I did not use the flexophores though. Would the flexophores give me more information on the function of my molecules than skelspheres would? Thanks again!

Report message to a moderator

[Message index]

		Evolutionary algorithm By: pc419714@ohio.edu on Tue, 12 February 2019 17:20
		Re: Evolutionary algorithm By: thomas on Tue, 12 February 2019 18:40
		Re: Evolutionary algorithm By: pc419714@ohio.edu on Wed, 13 February 2019 23:05
		Re: Evolutionary algorithm By: pc419714@ohio.edu on Thu, 14 February 2019 04:28
		Re: Evolutionary algorithm By: thomas on Thu, 07 March 2019 16:25
		Re: Evolutionary algorithm By: pc419714@ohio.edu on Thu, 14 March 2019 22:08
		Re: Evolutionary algorithm By: sansun on Sun, 10 May 2020 06:24
		Re: Evolutionary algorithm By: thomas on Sun, 10 May 2020 15:32
		Re: Evolutionary algorithm By: sansun on Wed, 13 May 2020 15:08

Previous Topic:	Combinatorial library issues
Next Topic:	Rounding behavior changed?

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Tue Dec 02 11:15:23 CET 2025

Total time taken to generate the page: 0.19834 seconds