A federated graph learning method to realize multi-party collaboration for molecular discovery
LeCun, Y., Bengio, Y. & Hinton, G. Deep learning. Nature 521, 436–444 (2015).Article Google Scholar Abramson, J. et al. Accurate...
discovery
Cross-Continental AI Partnership Revolutionizes Drug Discovery Through Machine Learning Framework
A groundbreaking collaboration between researchers at The Ohio State University and the Indian Institute of Technology Madras has produced an...
Machine Learning Approach Accelerates Discovery of Novel CDK9 Inhibitors
A virtual screening campaign using machine learning identified molecules with potential for development as novel CDK9 inhibitors for the treatment...
Toward high entropy material discovery for energy applications using computational and machine learning methods
Wan, X. et al. Machine learning paves the way for high entropy compounds exploration: challenges, progress, and outlook. Adv. Mater....
Discovery of the reward function for embodied reinforcement learning agents
PreliminariesNotationsThroughout the article, the following symbols are used. \({{{\mathcal{S}}}}\): state space. \({{{\mathcal{A}}}}\): action space. π: policy. θ: parameters of π....
How AI and machine learning are transforming drug discovery
Credit: Shutterstock AI is revolutionizing drug discovery with its ability to analyze vast datasets. Particularly beneficial in the early drug...
