Témata disertačních prací

Quantitative prediction of drug metabolism mechanism

The project aim is the high-accuracy prediction of drug metabolism mechanism with the help of atomistic simulations at quantum accuracy and machine learning. The accuracy and reliability of the predictions will be compared to experiments. More at https://hruska-lab.github.io/

Školitel: Eugen Hruška, Ph.D.

Klíčová slova: atomistic simulation, machine learning