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Brent Koscher

3 results in Authors: Brent Koscher

Chemical Engineering and Industrial Chemistry

Autonomous, multi-property-driven molecular discovery: from predictions to measurements and back

Brent Koscher, Richard B. Canty, Matthew A. McDonald, Kevin P. Greenman, Charles J. McGill, Camille L. Bilodeau, Wengong Jin, Haoyang Wu, Florence H. Vermeire, Brooke Jin, Travis Hart, Timothy Kulesza, Shih-Cheng Li, Tommi S. Jaakkola, Regina Barzilay, Rafael Gómez-Bombarelli, William H. Green, Klavs F Jensen

Version 1 posted 13 April 2023

2,579

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7

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Analytical Chemistry

Open-Source Chromatographic Data Analysis for Reaction Optimization and Screening

Christian P. Haas, Maximilian Lübbesmeyer, Edward H. Jin, Matthew A. McDonald, Brent A. Koscher, Nicolas Guimond, Laura Di Rocco, Henning Kayser, Samuel Leweke, Sebastian Niedenführ, Rachel Nicholls, Emily Greeves, David M. Barber, Julius Hillenbrand, Giulio Volpin, Klavs F. Jensen

Version 2 posted 03 February 2023

1,849

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Chemical Engineering and Industrial Chemistry

General Chemically Intuitive Atom- and Bond-level DFT Descriptors for Machine Learning Approaches to Reaction Condition Prediction

Miguel Nouman, Richard B. Canty, Brent A. Koscher, Matthew A. McDonald, Klavs F Jensen

Version 1 posted 02 December 2024

232

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