The Application of Machine Learning in Organic Chemistry

Newcastle University

About the Project

Recent developments in machine learning have stimulated interest in the application of this powerful technique to new areas of research, including chemistry. The increased availability of diverse electronic data sources means that chemistry is undergoing a data-driven shift in which reaction conditions can be optimised with less requirement for experimental work.

This project will look to use various machine learning approaches, including deep learning neural models and Bayesian models to develop predictive models for areas of organic chemistry research including, stereo and regioselective reactions and organometallic reactions.

The multidisciplinary nature of this project represents great opportunities for the student and would be particularly suited to a Chemistry or Pharmacy graduate and allow them to obtain valuable training in organic chemistry, statistical analysis, and computational modelling. Previous experience with computer programming would be advantageous but is not essential.

The candidate should have (or expect to receive) a degree at 2:1 or above.

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