Machine learning-aided generative molecular design
Yuanqi Du, Arian R. Jamasb, Jeff Guo, Tianfan Fu, Charles B. Harris, Yingheng Wang, Chenru Duan, Píetro Lió, Philippe Schwaller, Tom L. Blundell
Topics & Concepts
Generative grammarGenerative DesignComputer scienceArtificial intelligenceEngineeringOperations managementMetric (unit)Computational Drug Discovery MethodsMachine Learning in Materials ScienceChemistry and Chemical Engineering