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Re: Evolutionary algorithm [message #476 is a reply to message #475] Thu, 14 February 2019 04:28 Go to previous messageGo to previous message
pc419714@ohio.edu is currently offline  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!
 
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