Jeremy Henle

AbbVie (United States) — United States

Materials Science · Physical Sciences

11h-index1.1kcitations44works1.02yr avg
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Research Topics

Crystallization and Solubility Studies(21), X-ray Diffraction in Crystallography(21), Machine Learning in Materials Science(11), Computational Drug Discovery Methods(5), Asymmetric Hydrogenation and Catalysis(5)

Publications44 total

Unleashing the Power of Potassium 2-Ethylhexanoate as a Mild and Soluble Base for Pd-Catalyzed C–N Cross-Coupling
Journal of the American Chemical Society·2025
Leveraging Data Science to Elucidate Ligand Features for Pd-Catalyzed Enantioretentive <i>N</i>-Arylations of Cyclic α-Substituted Amines in Aqueous Media
Journal of the American Chemical Society·2025· 1 cited
Unleashing the Power of Potassium 2-Ethylhexanoate as a Mild and Soluble Base for Pd-catalyzed C-N Cross-Coupling
2025Open Access
Development of a Thioetherification of Heteroarene Electrophiles with Broad Scope via a Proton Transfer Dual Ionization Mechanism
Journal of the American Chemical Society·2025· 5 citedOpen Access
Development of a Simple Thioetherification of Heteroarene Electrophiles with Broad Scope via a Proton Transfer Dual Ioni-zation Mechanism
2024Open Access
Correction to “Application of Machine Learning and Reaction Optimization for the Iterative Improvement of Enantioselectivity of Cinchona-Derived Phase Transfer Catalysts”
Organic Process Research & Development·2024
Mild, Additive-Free Thioetherification via Proton Transfer Dual Ionization Mechanism
2023· 1 citedOpen Access
Continuous Process to Safely Manufacture an Aryldiazoacetate and Its Direct Use in a Dirhodium-Catalyzed Enantioselective Cyclopropanation
Organic Process Research & Development·2022· 17 cited
Mechanistic Evaluation and Solvent-Based Linear Free Energy Relationship in the Alkylation of ABT-199 Using Di-<i>tert</i>-butyl Chloromethyl Phosphate
Organic Process Research & Development·2021
Application of Machine Learning and Reaction Optimization for the Iterative Improvement of Enantioselectivity of Cinchona-Derived Phase Transfer Catalysts
Organic Process Research & Development·2021· 27 cited
CCDC 2033817: Experimental Crystal Structure Determination
The Cambridge Structural Database·2021Open Access
Dreams, False Starts, Dead Ends, and Redemption: A Chronicle of the Evolution of a Chemoinformatic Workflow for the Optimization of Enantioselective Catalysts
Accounts of Chemical Research·2021· 56 cited
Computational methods for training set selection and error assessment applied to catalyst design: guidelines for deciding which reactions to run first and which to run next
Reaction Chemistry & Engineering·2021· 22 cited
Pd-Catalyzed Cross-Coupling of Hindered, Electron-Deficient Anilines with Bulky (Hetero)aryl Halides Using Biaryl Phosphorinane Ligands
ACS Catalysis·2020· 25 cited
CCDC 2045981: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 2045982: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 2045983: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
Computational Methods for Training Set Selection and Error Assessment Applied to Catalyst Design: Guidelines for Deciding Which Reactions to Run First and Which to Run Next
2020Open Access
Computational Methods for Training Set Selection and Error Assessment Applied to Catalyst Design: Guidelines for Deciding Which Reactions to Run First and Which to Run Next
2020· 1 citedOpen Access
Cautionary Guidelines for Machine Learning Studies with Combinatorial Datasets
ACS Combinatorial Science·2020· 58 cited
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Frequent Co-authors

Shashank Shekhar(30), Rodger F. Henry(23), Michael G. Fickes(22), Andrew R. Ickes(19), José G. Napolitano(19), Brian Kotecki(18), Thaddeus S. Franczyk(18), Travis B. Dunn(18), Anthony R. Haight(18), Summer D. Laffoon(17), V. S. Chan(17), David M. Barnes(17), Scott E. Denmark(10), Andrew F. Zahrt(7), Rafal Swiatowiec(7), Jeffrey M. Kallemeyn(6), Russell D. Cink(5), K. A. LUKIN(5), Matthew J. Pelc(5), Timothy B. Towne(5)