99. Data Science-Guided Development of Deoxyfluorination Reagents with Enhanced Reactivity, Practicality, and Safety

"Data Science-Guided Development of Deoxyfluorination Reagents with Enhanced Reactivity, Practicality, and Safety" Ruos, M. R.; Romer, N. P.; Deichert, J. A.; Alabanza, L. M.; Gandhi, S. S.; Brown, G. Z.; Walroth, R. C.; Cruz, K.; Gosselin, F.; Hong, A. Y.; Sigman, M. S.; Doyle, A. G. J. Am. Chem. Soc., 2025, 147, 25815–25824. [DOI: 10.1021/jacs.5c07548]

99. Data Science-Guided Development of Deoxyfluorination Reagents with Enhanced Reactivity, Practicality, and Safety2025-09-08T08:56:18-07:00

98. Fabrication of SERS Substrates Using Silver-Coated Gold Nanostars for Chemical Sensing: A Multiobjective Bayesian Optimization Approach

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98. Fabrication of SERS Substrates Using Silver-Coated Gold Nanostars for Chemical Sensing: A Multiobjective Bayesian Optimization Approach2025-07-03T17:24:08-07:00

97. Applying Active Learning toward Building a Generalizable Model for Ni-Photoredox Cross-Electrophile Coupling of Aryl and Alkyl Bromides

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97. Applying Active Learning toward Building a Generalizable Model for Ni-Photoredox Cross-Electrophile Coupling of Aryl and Alkyl Bromides2025-07-03T17:23:09-07:00

96. Biosourced Functional Hydroxybenzoate-co-Lactide Polymers with Antimicrobial Activity

"Biosourced Functional Hydroxybenzoate-co-Lactide Polymers with Antimicrobial Activity" Salas-Ambrosio, P.; Vexler, S.; Sivasankaran, R. P.; Vlahakis, N.; Lai, R. S.; Johnson, C.; Baas-Maynard, S. I.; Min, D. S.; Lower, H.; Doyle, A. G.; Tang, Y.; Rodriguez, J. A.; Chen, I. A.; Read de Alaniz, J.; Maynard, H. D. J. Am. Chem. Soc., 2025, 147, 19230-19238. [DOI:

96. Biosourced Functional Hydroxybenzoate-co-Lactide Polymers with Antimicrobial Activity2025-07-03T17:21:45-07:00

95. Diversification of acridinium photocatalysts: Property tuning and reactivity in model reactions

"Diversification of acridinium photocatalysts: Property tuning and reactivity in model reactions" Wang, J. Y.; Fan, F.; Ruos, M. E.; Adao Gomes, L.; Lavin, M.; O'Connor, T. J.; Lopez, S. A.; Doyle, A. G. Tet. Lett., 2025, 160, 155546. [DOI: 10.1016/j.tetlet.2025.155546] Link PDF  

95. Diversification of acridinium photocatalysts: Property tuning and reactivity in model reactions2025-07-03T17:19:04-07:00

94. Data Science-Driven Discovery of Optimal Conditions and a Condition-Selection Model for the Chan–Lam Coupling of Primary Sulfonamides

"Data Science-Driven Discovery of Optimal Conditions and a Condition-Selection Model for the Chan–Lam Coupling of Primary Sulfonamides" Gandhi, S. S.; Brown, G. Z.; Aikonen, S.; Compton, J. S.; Neves, P.; Martinez Alvarado, J. I.; Strambeanu, I. I.; Leonard, K. A.; Doyle, A. G. ACS Catal., 2025, 15, 2292-2304. [DOI: 10.1021/acscatal.4c07972] Link PDF  

94. Data Science-Driven Discovery of Optimal Conditions and a Condition-Selection Model for the Chan–Lam Coupling of Primary Sulfonamides2025-03-25T21:35:45-07:00

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
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