Struble TJ - Search Results

1

Direct Optimization across Computer-Generated Reaction Networks Balances Materials Use and Feasibility of Synthesis Plans for Molecule Libraries.

Gao H, Pauphilet J, Struble TJ, Coley CW, Jensen KF. Gao H, et al. Among authors: struble tj. J Chem Inf Model. 2021 Jan 25;61(1):493-504. doi: 10.1021/acs.jcim.0c01032. Epub 2020 Dec 17. J Chem Inf Model. 2021. PMID: 33331158

2

Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis.

Struble TJ, Alvarez JC, Brown SP, Chytil M, Cisar J, DesJarlais RL, Engkvist O, Frank SA, Greve DR, Griffin DJ, Hou X, Johannes JW, Kreatsoulas C, Lahue B, Mathea M, Mogk G, Nicolaou CA, Palmer AD, Price DJ, Robinson RI, Salentin S, Xing L, Jaakkola T, Green WH, Barzilay R, Coley CW, Jensen KF. Struble TJ, et al. J Med Chem. 2020 Aug 27;63(16):8667-8682. doi: 10.1021/acs.jmedchem.9b02120. Epub 2020 Apr 14. J Med Chem. 2020. PMID: 32243158 Free PMC article.

3

Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors.

Guan Y, Coley CW, Wu H, Ranasinghe D, Heid E, Struble TJ, Pattanaik L, Green WH, Jensen KF. Guan Y, et al. Among authors: struble tj. Chem Sci. 2020 Dec 22;12(6):2198-2208. doi: 10.1039/d0sc04823b. Chem Sci. 2020. PMID: 34163985 Free PMC article.

4

Using Machine Learning To Predict Suitable Conditions for Organic Reactions.

Gao H, Struble TJ, Coley CW, Wang Y, Green WH, Jensen KF. Gao H, et al. Among authors: struble tj. ACS Cent Sci. 2018 Nov 28;4(11):1465-1476. doi: 10.1021/acscentsci.8b00357. Epub 2018 Nov 16. ACS Cent Sci. 2018. PMID: 30555898 Free PMC article.

5

Enantioselective small molecule synthesis by carbon dioxide fixation using a dual Brønsted acid/base organocatalyst.

Vara BA, Struble TJ, Wang W, Dobish MC, Johnston JN. Vara BA, et al. Among authors: struble tj. J Am Chem Soc. 2015 Jun 17;137(23):7302-5. doi: 10.1021/jacs.5b04425. Epub 2015 Jun 3. J Am Chem Soc. 2015. PMID: 26039818 Free PMC article.

6

Catalytic, Enantioselective Synthesis of Cyclic Carbamates from Dialkyl Amines by CO₂-Capture: Discovery, Development, and Mechanism.

Yousefi R, Struble TJ, Payne JL, Vishe M, Schley ND, Johnston JN. Yousefi R, et al. Among authors: struble tj. J Am Chem Soc. 2019 Jan 9;141(1):618-625. doi: 10.1021/jacs.8b11793. Epub 2018 Dec 24. J Am Chem Soc. 2019. PMID: 30582326 Free PMC article.

7

DFT-Based Stereochemical Rationales for the Bifunctional Brønsted Acid/Base-Catalyzed Diastereodivergent and Enantioselective aza-Henry Reactions of α-Nitro Esters.

Struble TJ, Smajlagic I, Foy H, Dudding T, Johnston JN. Struble TJ, et al. J Org Chem. 2021 Nov 5;86(21):15606-15617. doi: 10.1021/acs.joc.1c02112. Epub 2021 Oct 20. J Org Chem. 2021. PMID: 34669416 Free PMC article.

8

Enantioselective Organocatalytic Amine-Isocyanate Capture-Cyclization: Regioselective Alkene Iodoamination for the Synthesis of Chiral Cyclic Ureas.

Struble TJ, Lankswert HM, Pink M, Johnston JN. Struble TJ, et al. ACS Catal. 2018 Dec 7;8(12):11926-11931. doi: 10.1021/acscatal.8b03708. Epub 2018 Nov 19. ACS Catal. 2018. PMID: 31131150 Free PMC article.

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