Data Sharing in Chemistry: Lessons Learned and a Case for Mandating Structured Reaction Data
The past decade has seen a number of impressive developments in predictive chemistry and reaction informatics driven by machine learning applications to computer-aided synthesis planning. While many of these developments have been made even with relatively small, bespoke data sets, in order to advan...
Main Authors: | Mercado, Rocío, Kearnes, Steven M, Coley, Connor W |
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Other Authors: | Massachusetts Institute of Technology. Department of Chemical Engineering |
Format: | Article |
Language: | English |
Published: |
American Chemical Society
2025
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Online Access: | https://hdl.handle.net/1721.1/158183 |
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