openmolecules.org Forum: Cheminformatics

Home » DataWarrior » Cheminformatics » fragments

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

Re: fragments [message #535 is a reply to message #534]

Tue, 16 April 2019 22:56

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

Junior Member

This is great! Thanks! One idea my boss had was to modify the code so that it calculated the drug score each generation and picked the best ones. I might try to modify the source code to try this but the way it is set up, if you select compounds with a high drug score to begin with, it generates compounds with high drug scores. We ended up doing 2 evolutions.

This is very helpful knowing more details about the fragments.

Report message to a moderator

[Message index]

		fragments By: pc419714@ohio.edu on Thu, 11 April 2019 19:34
		Re: fragments By: thomas on Sun, 14 April 2019 22:10
		Re: fragments By: pc419714@ohio.edu on Mon, 15 April 2019 22:10
		Re: fragments By: thomas on Tue, 16 April 2019 16:19
		Re: fragments By: pc419714@ohio.edu on Tue, 16 April 2019 22:56
		Re: fragments By: Max marine on Sun, 29 December 2019 09:21

Previous Topic:	Molecular Flexibility Descriptor
Next Topic:	Molecular Flexibility Descriptor

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Thu Oct 15 21:50:20 CEST 2026

Total time taken to generate the page: 0.00582 seconds