Thomas J Struble

ORCID

Publication Activity (10 Years)

Years Active: 2018-2021
Publications (10 Years): 6

Top Venues

The Journal of organic chemistry

Chemical science

ACS catalysis

Journal of medicinal chemistry

Merck

Vanderbilt University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Merck

United States

Sr. Scientist, Informatics :: Chemistry

Education History

Vanderbilt University May 01 2012 - Dec 07 2017

United States

PHD :: Chemistry

Publications

Thomas J Struble, Ivor Smajlagic, Hayden Foy, Travis Dudding, Jeffrey N Johnston
DFT-Based Stereochemical Rationales for the Bifunctional Brønsted Acid/Base-Catalyzed Diastereodivergent and Enantioselective aza-Henry Reactions of α-Nitro Esters. The Journal of organic chemistry 86 (21) (2021)
Hanyu Gao, Jean Pauphilet, Thomas J Struble, Connor W Coley, Klavs F Jensen
Direct Optimization across Computer-Generated Reaction Networks Balances Materials Use and Feasibility of Synthesis Plans for Molecule Libraries. Journal of chemical information and modeling 61 (1) (2020)
Yanfei Guan, Connor W Coley, Haoyang Wu, Duminda Ranasinghe, Esther Heid, Thomas J Struble, Lagnajit Pattanaik, William H Green, Klavs F Jensen
Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors. Chemical science 12 (6) (2020)
Thomas J Struble, Juan C Alvarez, Scott P Brown, Milan Chytil, Justin S Cisar, Renee L DesJarlais, Ola Engkvist, Scott A Frank, Daniel R Greve, Daniel J Griffin, Xinjun Hou, Jeffrey W Johannes, Constantine Kreatsoulas, Brian Lahue, Miriam Mathea, Georg Mogk, Christos A Nicolaou, Andrew D Palmer, Daniel J Price, Richard I Robinson, Sebastian Salentin, Li Xing, Tommi S Jaakkola, William H Green, Regina Barzilay, Connor W Coley, Klavs F Jensen
Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis. Journal of medicinal chemistry 63 (16) (2020)
Thomas J Struble, Hannah M Lankswert, Maren Pink, Jeffrey N Johnston
Enantioselective Organocatalytic Amine-Isocyanate Capture-Cyclization: Regioselective Alkene Iodoamination for the Synthesis of Chiral Cyclic Ureas. ACS catalysis 8 (12) (2018)
Roozbeh Yousefi, Thomas J Struble, Jenna L Payne, Mahesh Vishe, Nathan D Schley, Jeffrey N Johnston
Catalytic, Enantioselective Synthesis of Cyclic Carbamates from Dialkyl Amines by CO2-Capture: Discovery, Development, and Mechanism. Journal of the American Chemical Society 141 (1) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

Thomas J Struble