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...

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Bibliographic Details
Main Authors: Mercado, Rocío, Kearnes, Steven M, Coley, Connor W
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering
Format: Article
Language:English
Published: American Chemical Society 2025
Online Access:https://hdl.handle.net/1721.1/158183

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