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

Researchers from North Carolina State University 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.

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

Researchers from North Carolina State University have demonstrated that molecular dynamics simulations and machine learning techniques could be integrated to create more accurate computer prediction ...

Mon 15 May 17 from Phys.org

Molecular dynamics, machine learning create 'hyper-predictive' computer models, Mon 15 May 17 from ScienceDaily

Molecular dynamics, machine learning create 'hyper-predictive' computer models, Mon 15 May 17 from Eurekalert

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