Monday, May 15, 2017

Molecular dynamics, machine learning create 'hyper-predictive' computer models

Researchers have demonstrated that molecular dynamics simulations and machine learning techniques could be integrated to create more accurate computer prediction models. These 'hyper-predictive' models could be used to quickly predict which new chemical compounds could be promising drug candidates.

from Geochemistry News -- ScienceDaily http://ift.tt/2pPOIzl
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