N. Ian Rinehart

University of California, Berkeley — United States

Chemistry · Physical Sciences

6h-index232citations14works1.22yr avg
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Research Topics

Asymmetric Hydrogenation and Catalysis(9), Computational Drug Discovery Methods(4), Catalytic Cross-Coupling Reactions(4), Catalytic C–H Functionalization Methods(3), Machine Learning in Materials Science(3)

Publications14 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
Unleashing the Power of Potassium 2-Ethylhexanoate as a Mild and Soluble Base for Pd-catalyzed C-N Cross-Coupling
2025Open Access
molli: A General Purpose Python Toolkit for Combinatorial Small Molecule Library Generation, Manipulation, and Feature Extraction
Journal of Chemical Information and Modeling·2024· 5 cited
molli: A General-Purpose Python Toolkit for Combinatorial Small Molecule Library Generation, Manipulation, and Feature Extraction.
2024· 1 citedOpen Access
molli: A General-Purpose Python Toolkit for Combinatorial Small Molecule Library Generation, Manipulation, and Feature Extraction.
2024Open Access
A machine-learning tool to predict substrate-adaptive conditions for Pd-catalyzed C–N couplings
Science·2023· 108 cited
Development and Validation of a Chemoinformatic Workflow for Predicting Reaction Yield for Pd-Catalyzed C-N Couplings with Substrate Generalizability
2023· 1 citedOpen Access
Development and Validation of a Chemoinformatic Workflow for Predicting Reaction Yield for Pd-Catalyzed C-N Couplings with Substrate Generalizability
2022· 3 citedOpen Access
Leveraging Machine Learning for Enantioselective Catalysis: From Dream to Reality
CHIMIA International Journal for Chemistry·2021· 6 citedOpen Access
A Conformer‐Dependent, Quantitative Quadrant Model
European Journal of Organic Chemistry·2021· 9 cited
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
A Universally Applicable Methodology for the Gram-Scale Synthesis of Primary, Secondary, and Tertiary Phosphines
Organometallics·2018· 33 cited
Synthesis of tetraphosphine macrocycles using copper(<scp>i</scp>) templates
Dalton Transactions·2016· 10 cited
CCDC 1455849: Experimental Crystal Structure Determination
The Cambridge Structural Database·2016Open Access

Frequent Co-authors

Scott E. Denmark(9), Andrew F. Zahrt(6), Alexander S. Shved(6), Rakesh K. Saunthwal(3), Joël Wellauer(3), Lukas Schlemper(3), Raphael Bigler(3), Serena Fantasia(3), Jeremy Henle(3), David R. Tyler(3), Blake E. Ocampo(3), Elena S. Burlova(3), Casey L. Olen(3), Bryan P. Nell(2), Charles D. Swor(2), E. Adrian Henle(2), Lev N. Zakharov(2), Aditya Nathan(2), W. Marcus Lambert(2), Stephanie Felten(2)