Batched Bayesian Optimization for Drug Design in Noisy Environments

Journal of chemical information and modeling

Hugo Bellamy, Abbi Abdel Rehim, Oghenejokpeme I Orhobor, Ross King

• DOI: 10.1021/acs.jcim.2c00602
• PMID: 36044048
• PMCID: PMC9472273