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2017 3
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2019 1
2022 1
2023 2

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Page 1
On the use of real-world datasets for reaction yield prediction.
Saebi M, Nan B, Herr JE, Wahlers J, Guo Z, Zurański AM, Kogej T, Norrby PO, Doyle AG, Chawla NV, Wiest O. Saebi M, et al. Among authors: herr je. Chem Sci. 2023 Mar 13;14(19):4997-5005. doi: 10.1039/d2sc06041h. eCollection 2023 May 17. Chem Sci. 2023. PMID: 37206399 Free PMC article.
End-to-end differentiable construction of molecular mechanics force fields.
Wang Y, Fass J, Kaminow B, Herr JE, Rufa D, Zhang I, Pulido I, Henry M, Bruce Macdonald HE, Takaba K, Chodera JD. Wang Y, et al. Among authors: herr je. Chem Sci. 2022 Sep 8;13(41):12016-12033. doi: 10.1039/d2sc02739a. eCollection 2022 Oct 26. Chem Sci. 2022. PMID: 36349096 Free PMC article.