As Artificial Intelligence cements its role as a cornerstone of scientific discovery, the field is undergoing a fundamental shift beyond the current transition from "white-box" first-principles models to "black-box" deep...
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Luca Naef
Michael Bronstein
Chemical Science
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Naef et al. (Thu,) studied this question.
www.synapsesocial.com/papers/69d8958f6c1944d70ce069fa — DOI: https://doi.org/10.1039/d6sc01189f