Grzybowski B - Search Results

1

Back S, Aspuru-Guzik A, Ceriotti M, Gryn'ova G, Grzybowski B, Gu GH, Hein J, Hippalgaonkar K, Hormázabal R, Jung Y, Kim S, Kim WY, Moosavi SM, Noh J, Park C, Schrier J, Schwaller P, Tsuda K, Vegge T, von Lilienfeld OA, Walsh A. Back S, et al. Among authors: grzybowski b. Digit Discov. 2023 Dec 6;3(1):23-33. doi: 10.1039/d3dd00213f. eCollection 2024 Jan 17. Digit Discov. 2023. PMID: 38239898 Free PMC article. Review.

2

Closed-loop optimization of general reaction conditions for heteroaryl Suzuki-Miyaura coupling.

Angello NH, Rathore V, Beker W, Wołos A, Jira ER, Roszak R, Wu TC, Schroeder CM, Aspuru-Guzik A, Grzybowski BA, Burke MD. Angello NH, et al. Among authors: grzybowski ba. Science. 2022 Oct 28;378(6618):399-405. doi: 10.1126/science.adc8743. Epub 2022 Oct 27. Science. 2022. PMID: 36302014

3

Artificial Intelligence for Retrosynthetic Planning Needs Both Data and Expert Knowledge.

Strieth-Kalthoff F, Szymkuć S, Molga K, Aspuru-Guzik A, Glorius F, Grzybowski BA. Strieth-Kalthoff F, et al. Among authors: grzybowski ba. J Am Chem Soc. 2024 Apr 10. doi: 10.1021/jacs.4c00338. Online ahead of print. J Am Chem Soc. 2024. PMID: 38598363 Review.

4

Concentric liquid reactors for chemical synthesis and separation.

Cybulski O, Dygas M, Mikulak-Klucznik B, Siek M, Klucznik T, Choi SY, Mitchell RJ, Sobolev YI, Grzybowski BA. Cybulski O, et al. Among authors: grzybowski ba. Nature. 2020 Oct;586(7827):57-63. doi: 10.1038/s41586-020-2768-9. Epub 2020 Sep 30. Nature. 2020. PMID: 32999483

5

Linguistic measures of chemical diversity and the "keywords" of molecular collections.

Woźniak M, Wołos A, Modrzyk U, Górski RL, Winkowski J, Bajczyk M, Szymkuć S, Grzybowski BA, Eder M. Woźniak M, et al. Sci Rep. 2018 May 15;8(1):7598. doi: 10.1038/s41598-018-25440-6. Sci Rep. 2018. PMID: 29765058 Free PMC article.

6

Computer-designed repurposing of chemical wastes into drugs.

Wołos A, Koszelewski D, Roszak R, Szymkuć S, Moskal M, Ostaszewski R, Herrera BT, Maier JM, Brezicki G, Samuel J, Lummiss JAM, McQuade DT, Rogers L, Grzybowski BA. Wołos A, et al. Nature. 2022 Apr;604(7907):668-676. doi: 10.1038/s41586-022-04503-9. Epub 2022 Apr 27. Nature. 2022. PMID: 35478240

7

Chemist Ex Machina: Advanced Synthesis Planning by Computers.

Molga K, Szymkuć S, Grzybowski BA. Molga K, et al. Acc Chem Res. 2021 Mar 2;54(5):1094-1106. doi: 10.1021/acs.accounts.0c00714. Epub 2021 Jan 11. Acc Chem Res. 2021. PMID: 33423460

8

Predicting the outcomes of organic reactions via machine learning: are current descriptors sufficient?

Skoraczyński G, Dittwald P, Miasojedow B, Szymkuć S, Gajewska EP, Grzybowski BA, Gambin A. Skoraczyński G, et al. Among authors: grzybowski ba. Sci Rep. 2017 Jun 15;7(1):3582. doi: 10.1038/s41598-017-02303-0. Sci Rep. 2017. PMID: 28620199 Free PMC article.

9

Proving Cooperativity of a Catalytic Reaction by Means of Nanoscale Geometry: The Case of Click Reaction.

Quintana C, Ahumada JC, Ahumada G, Sobolev Y, Kim M, Allamyradov A, Grzybowski BA. Quintana C, et al. J Am Chem Soc. 2022 Jun 29;144(25):11238-11245. doi: 10.1021/jacs.2c02556. Epub 2022 Jun 17. J Am Chem Soc. 2022. PMID: 35713884

10

Discovery and Enumeration of Organic-Chemical and Biomimetic Reaction Cycles within the Network of Chemistry.

Bajczyk MD, Dittwald P, Wołos A, Szymkuć S, Grzybowski BA. Bajczyk MD, et al. Angew Chem Int Ed Engl. 2018 Feb 23;57(9):2367-2371. doi: 10.1002/anie.201712052. Epub 2018 Feb 6. Angew Chem Int Ed Engl. 2018. PMID: 29405528

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