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Extracting Recalcitrant Redox Data on Fluorophores to Pair with Optical Data for Predicting Small-Molecule, Ionic Isolation Lattices

Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D4DD00137K, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Michaela K Loveless, Minwei Che, Alec Sanchez, Vikrant Tripathy, Bo W. Laursen, Sudhakar Pamidighantam, Krishnan Raghavachari, Amar H FloodRedox and optical data of organic

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Regio-MPNN: predicting regioselectivity for general metal-catalyzed cross-coupling reactions using a chemical knowledge informed message passing neural network

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D4DD00244J, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. Baochen Li, Yuru Liu, Haibin Sun, Rentao Zhang, Yongli Xie, Klement Foo, Frankie S. Mak, Ruimao Zhang, Tianshu Yu, Sen Lin, Peng Wang, Xiaoxue

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