Finding the most potent compounds using active learning on molecular pairs

Zachary Fralish and Daniel Reker
Beilstein J. Org. Chem. 2024, 20, 2152–2162. https://doi.org/10.3762/bjoc.20.185

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Finding the most potent compounds using active learning on molecular pairs
Zachary Fralish and Daniel Reker
Beilstein J. Org. Chem. 2024, 20, 2152–2162. https://doi.org/10.3762/bjoc.20.185

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Fralish, Z.; Reker, D. Beilstein J. Org. Chem. 2024, 20, 2152–2162. doi:10.3762/bjoc.20.185

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  • Fralish, Z.; Reker, D. Taking a deep dive with active learning for drug discovery. Nature Computational Science 2024, 4, 727–728. doi:10.1038/s43588-024-00704-6
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