Recent advances in supervised and reinforcement machine learning techniques, such as multi-output neural networks, ensemble methods, and Bayesian optimization, provide an exciting opportunity for ...
The diagram illustrates the interplay among data acquisition, machine learning, and experiment synthesis. Physical models such as thermodynamics and kinetics can be integrated into ML models as expert ...
Automation is nothing new in chemistry. Robots can synthesize peptides, and they make high-throughput screening possible. A new setup takes this even further, combining software and hardware in an ...
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