90. Autonomous closed-loop mechanistic investigation of molecular electrochemistry via automation

"Autonomous closed-loop mechanistic investigation of molecular electrochemistry via automation" Sheng, H.; Sun, J.; Rodríguez, O.; Hoar, B. B.; Zhang, W.; Xiang, D.; Tang, T.; Hazra, A.; Min, D. S.; Doyle, A. G.; Sigman, M. S.; Costentin, C.; Gu, Q.; Rodríguez-López, J.; Liu, C. Nat. Commun, 2024, 15, 2781. [DOI: 10.1038/s41467-024-47210-x] Link PDF

90. Autonomous closed-loop mechanistic investigation of molecular electrochemistry via automation2024-05-27T18:36:11-07:00

89. Data Science Guided Multiobjective Optimization of a Stereoconvergent Nickel-Catalyzed Reduction of Enol Tosylates to Access Trisubstituted Alkenes

"Data Science Guided Multiobjective Optimization of a Stereoconvergent Nickel-Catalyzed Reduction of Enol Tosylates to Access Trisubstituted Alkenes" Romer, N. P.; Min, D. S.; Wang, J. Y.; Walroth, R. C.; Mack, K. A.; Sirois, L. E.; Gosselin, F.; Zell, D.; Doyle, A. G.; Sigman, M. S. ACS Catal, 2024, 14, 4699-4708. [DOI: 10.1021/acscatal.4c00650] Link PDF

89. Data Science Guided Multiobjective Optimization of a Stereoconvergent Nickel-Catalyzed Reduction of Enol Tosylates to Access Trisubstituted Alkenes2024-05-27T18:33:20-07:00

88. Identifying general reaction conditions by bandit optimization

"Identifying general reaction conditions by bandit optimization" Wang, J. Y.; Stevens, J. M.; Kariofillis, S. K.; Tom, M.-J.; Golden, D. L.; Li, J.; Tabora, J. E.; Parasram, M.; Shields, B. J.; Primer, D. N.; Hao, B.; Del Valle, D.; DiSomma, S.; Furman, A.; Zipp, G. G.; Melnikov, S.; Paulson, J.; Doyle, A. G. Nature, 2024,

88. Identifying general reaction conditions by bandit optimization2024-05-27T18:33:07-07:00

85. Dataset Design for Building Models of Chemical Reactivity

"Dataset Design for Building Models of Chemical Reactivity" Raghavan, P; Haas, B. C.; Ruos, M. E.; Schleinitz, J; Doyle, A. G.; Reisman, S. E.; Sigman, M. S.; Coley, C. W. J. Am. Chem. Soc. 2023, 145, 24175-24183. [DOI: 10.1021/jacs.3c08301] Link PDF

85. Dataset Design for Building Models of Chemical Reactivity2024-05-27T18:32:22-07:00

81. Continuous flow synthesis of pyridinium salts accelerated by multi-objective Bayesian optimization with active learning

"Continuous flow synthesis of pyridinium salts accelerated by multi-objective Bayesian optimization with active learning" Dunlap, J. H.; Ethier, J. G.; Putnam-Neeb, A. A.; Iyer, S.; Luo, S.-X. L.; Feng, H.; Torres, J. A. G.; Doyle, A. G.; Swager, T. M.; Vaia, R. A.; Mirau, P.; Crouse, C. A.; Baldwin, L. A. Chem. Sci. 2023, 14, 8061-8069.

81. Continuous flow synthesis of pyridinium salts accelerated by multi-objective Bayesian optimization with active learning2024-05-27T18:31:12-07:00

80. Comparison of Monophosphine and Bisphosphine Precatalysts for Ni-Catalyzed Suzuki–Miyaura Cross-Coupling: Understanding the Role of the Ligation State in Catalysis

Borowski, J. E.; Newman-Stonebraker, S. H.; Doyle, A. G. ACS. Catal. 2023, 13, 7966-7977. [DOI: 10.1021/acscatal.3c01331] Link PDF

80. Comparison of Monophosphine and Bisphosphine Precatalysts for Ni-Catalyzed Suzuki–Miyaura Cross-Coupling: Understanding the Role of the Ligation State in Catalysis2023-06-05T13:39:19-07:00
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