Thomas J Struble

7PUBLICATIONS
38CO-AUTHORS
Formal methods for softwareBiologically active moleculesSemi- and unsupervised learningProcess control and simulationBiomolecular modelling and design
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Publications (7)

|May 21, 2025
ASKCOS: Open-Source, Data-Driven Synthesis Planning.

Zhengkai Tu, Sourabh J Choure, Mun Hong Fong

|Oct 20, 2021
DFT-Based Stereochemical Rationales for the Bifunctional Brønsted Acid/Base-Catalyzed Diastereodivergent and Enantioselective aza-Henry Reactions of α-Nitro Esters.

Thomas J Struble, Ivor Smajlagic, Hayden Foy

|Jun 24, 2021
Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors.

Yanfei Guan, Connor W Coley, Haoyang Wu

|Dec 17, 2020
Direct Optimization across Computer-Generated Reaction Networks Balances Materials Use and Feasibility of Synthesis Plans for Molecule Libraries.

Hanyu Gao, Jean Pauphilet, Thomas J Struble

|Apr 04, 2020
Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis.

Thomas J Struble, Juan C Alvarez, Scott P Brown

|May 28, 2019
Enantioselective Organocatalytic Amine-Isocyanate Capture-Cyclization: Regioselective Alkene Iodoamination for the Synthesis of Chiral Cyclic Ureas.

Thomas J Struble, Hannah M Lankswert, Maren Pink

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Frequent Collaborators

4 joint publications

Connor W Coley

3 joint publications

Jeffrey N Johnston

3 joint publications

Klavs F Jensen

3 joint publications

William H Green