AI in medicine: A reinforcement learning approach towards drug discovery скачать в хорошем качестве

AI in medicine: A reinforcement learning approach towards drug discovery

In this talk Pooja Arora and Justin Jose will share the potential of reinforcement learning to transform one of the key aspects of the drug discovery pipeline i.e. identification of an optimized drug pose. We approach drug pose prediction as a combinatorial optimization problem, and model it in deep reinforcement learning. We present an initial model based on this learned policy which is able to successfully generate the drug pose for SARS-CoV1 target and eventually will be extended to SARS-CoV2. To the best of our knowledge, this is the first time an RL based approach has been put forward for predicting optimized drug pose. http://www.thoughtworks.com/xconf