Uni.lu Researchers at Forefront of Developing Machine Learning Methods for Chemical Discovery | #Luxembourg #UniversityLuxembourg #Research #Europe | Luxembourg (Europe) | Scoop.it

Professor Alexandre Tkatchenko and his research team at the University of Luxembourg have been awarded grants totalling €500,000 to conduct research in the emerging field of machine learning methods for chemical discoveries.

The discovery and formulation of new drugs, antivirals, antibiotics and in general chemicals with tailored properties is a long and painstaking process. Interdisciplinary research at the crossroads of biochemistry, physics and computer science can change this. The development of machine learning (ML) methods, combined with first principles of quantum and statistical mechanics and trained on increasingly available molecular big datasets, has the potential to revolutionise the process of chemical discovery.

“Chemical discovery and machine learning are bound to evolve together, but achieving true synergy between them requires solving many outstanding challenges,” explained Alexandre Tkatchenko, Professor of Theoretical Chemical Physics at the University of Luxembourg.

 

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