Abigail G. Doyle

1. Bayesian reaction optimization as a tool for chemical synthesis
   2021/02/03 by Benjamin J. Shields, Jason M. Stevens, Jason Stevens +7 · 43 citations
   Computer Science · Engineering · Materials Science · #Computational Drug Discovery Methods #Innovative Microfluidic and Catalytic Techniques Innovation #Machine Learning in Materials Science
2. Identifying general reaction conditions by bandit optimization
   2024/02/28 by Jason Y. Wang, Jason M. Stevens, Stavros K. Kariofillis +18 · 1 voice · 5 citations
   Biochemistry, Genetics and Molecular Biology · Chemistry · Engineering · #Chemical Synthesis and Analysis #Innovative Microfluidic and Catalytic Techniques Innovation #Synthesis and Catalytic Reactions
3. Multi-level QTAIM-enriched graph neural networks for resolving properties of transition metal complexes
   2025/01/01 by Winston Gee, Abigail G. Doyle, Santiago Vargas +1 · 1 voice · 1 citation
   Materials Science · Computer Science · Chemistry · #Machine Learning in Materials Science #Computational Drug Discovery Methods #History and advancements in chemistry