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3 results in Keywords: reaction condition prediction

Theoretical and Computational Chemistry

Multi-Label Classification Models for the Prediction of Cross-Coupling Reaction Conditions

Michael Maser, Alexander Cui, Serim Ryou, Travis DeLano, Yisong Yue, Sarah Reisman

Version 1 posted 15 October 2020

718

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Chemical Engineering and Industrial Chemistry

Machine Learning-Guided Strategies for Reaction Condition Design and Optimization

Lung-Yi Chen, Yi-Pei Li

Version 2 posted 04 September 2024

661

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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

71

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