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How Machine Learning can assist Medicinal Chemistry in Drug Discovery

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If you have a question about this talk, please contact Dr Christoph Schran.

After a biological target has been identified, a key step in drug discovery is the design of molecules that modulate this target, and optimise their properties such that they can become clinical candidates which can be eventually given to patients.

In this talk, we will highlight how machine learning can help to predict molecular properties, such as biological activity, to automatically design molecules with desired properties, and to predict chemical synthesis, which is a prerequisite for biological testing.

This talk is part of the Lennard-Jones Centre series.

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