Development of Deep Learning Models for Molecular Modeling
Improve deep learning algorithms for molecular modeling
AI-Guided Development of Csp3-Csp2 Suzuki-Miyaura Cross Couplings with Unactivated Olefins
Use coevolution approach to optimize the reaction of secondary Csp3 organoboron nucleophiles with unactivated vinyl halides
AI-Enabled Catalyst Discovery and Optimization
AI-Guided Development of a Selectivity Model for C-H Oxidation Catalysts
Develop a model that ecompasses both iron and manganese version of White's C-H oxidation catalyta
Development of a Fully Closed BDTL Cycle for Enzyme Engineering
Develop new algorithms for predicting enzyme specificity and selectivity