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Generative AI like ChatGPT can do more than help write emails it can also design new drugs to treat disease, reports a new study that shows how AI can generate unique molecular structures as potential drugs.
<p>Inspired by ChatGPT’s popularity and wondering if this approach could speed up the drug design process, scientists in the <a href="https://www.chapman.edu/scst/index.aspx">Schmid College of Science and Technology</a> at Chapman University in Orange, California, decided to create their own genAI model, detailed in the new paper, “De Novo Drug Design using Transformer-based Machine Translation and Reinforcement Learning of Adaptive Monte-Carlo Tree Search,” to be published in the journal <em>Pharmaceuticals</em>. Dony Ang, Cyril Rakovski, and Hagop Atamian coded a model to learn a massive dataset of known chemicals, how they bind to target proteins, and the rules and syntax of chemical structure and properties writ large. </p>
<p>The end result can generate countless unique molecular structures that follow essential chemical and biological constraints and effectively
In the man-machine co-driving, most of the existing indirect cooperative shared steering control(ICSSC) strategies adopt fixed driver models and are designed based on rules. However, the fixed driver model is difficult to match with the actual situation, and the rule-based strategy is hard to be designed under the multi-dimensional feature input and the multi-objective conditions and require complicated parameters adjustment. A driver model that conforms to the driving characteristics of drivers with actual driving data is established, and an ICSSC strategy is proposed based on reinforcement learning in this paper, so as to realize the dynamic allocation of human-machine steering driving weight. Firstly, the vehicle dynamics model is established according to the vehicle longitudinal, lateral and yaw dynamics, the driver driving data is collected, and then the trajectory tracking MPC (Model Predictive Control) steering controller is designed. Secondly, DQN (Deep Q-Network), DDPG (Deep D