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Deep Learning in Chemistry

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The current revival of interest in artificial intelligence has been driven mostly by the advent of deep learning.

I will explain the concept of deep learning and describe how it has been applied to computational chemistry in the context of pharmacology. In particular, I will look at recent developments using adversarial networks that generate candidate molecules for drug discovery, and I will exam the use of reinforcement learning for this purpose.

This talk is part of the Biophysical Seminars series.

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