N Ian Rinehart

5PUBLICATIONS
19CO-AUTHORS
Chemical and thermal processes in energy and combustionDeep learningCatalysis and mechanisms of reactionsFormal methods for software
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Publications (5)

|Sep 06, 2026
3D, Structure-Based, Deep Learning Approach to Predict the Regioselectivity of Olefin Hydroformylations.

|Jul 23, 2026
Predicting Enantioselectivity of Ruthenium-Catalyzed Ketone Hydrogenation with 3D Structure-Based Deep Learning.

|Dec 02, 2025
Unleashing the Power of Potassium 2-Ethylhexanoate as a Mild and Soluble Base for Pd-Catalyzed C-N Cross-Coupling.

William D Lambert, Stephanie Felten, Nicholas Hadler

|Oct 23, 2024
molli: A General Purpose Python Toolkit for Combinatorial Small Molecule Library Generation, Manipulation, and Feature Extraction.

Alexander S Shved, Blake E Ocampo, Elena S Burlova

|Aug 31, 2023
A machine-learning tool to predict substrate-adaptive conditions for Pd-catalyzed C-N couplings.

N Ian Rinehart, Rakesh K Saunthwal, Joël Wellauer

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Frequent Collaborators

3 joint publications

John Hartwig

2 joint publications

Alexander S Shved

2 joint publications

Scott E Denmark

2 joint publications

Masha Elkin