Multitask prediction of site selectivity in aromatic C-H functionalization reactions by Struble, Thomas J, Coley, Connor Wilson, Jensen, Klavs F

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Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis by Struble, Thomas J, Jaakkola, Tommi S, Green Jr, William H, Barzilay, Regina

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Identifying the roles of acid–base sites in formation pathways of tolualdehydes from acetaldehyde over MgO-based catalysts by Lusardi, Marcella R. (Marcella Rose), Struble, Thomas J, Teixeira, Andrew R., Jensen, Klavs F

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Using Machine Learning To Predict Suitable Conditions for Organic Reactions by Gao, Hanyu, Struble, Thomas J, Coley, Connor W, Wang, Yuran, Green, William H, Jensen, Klavs F

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Combining retrosynthesis and mixed-integer optimization for minimizing the chemical inventory needed to realize a WHO essential medicines list by Gao, Hanyu, Coley, Connor Wilson, Struble, Thomas J, Li, Linyan, Qian, Yujie, Green Jr, William H, Jensen, Klavs F

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Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors by Guan, Yanfei, Coley, Connor Wilson, Wu, Haoyang, Ranasinghe, Duminda S, Heid, Esther, Struble, Thomas J, Pattanaik, Lagnajit, Green Jr, William H, Jensen, Klavs F

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