Benchmarking Strategies of Sustainable Process Chemistry Development: Human-Based, Machine Learning, and Quantum Mechanics
This study benchmarks diverse strategies in sustainable process chemistry development, ranging from human subject matter expertise to advanced computational models, including machine learning, Bayesian optimization, and quantum mechanics simulations. Through a “virtual laboratory” case study simulat...
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Published in | Organic process research & development Vol. 28; no. 7; pp. 2885 - 2895 |
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Main Authors | , , , , , , , , , , , , , , |
Format | Journal Article |
Language | English |
Published |
American Chemical Society
19.07.2024
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Subjects | |
Online Access | Get full text |
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