Linear Graphlet Fashions for Correct and Interpretable Cheminformatics

Digital Discovery, 2024, Accepted Manuscript
DOI: 10.1039/D4DD00089G, Paper

Open Access

&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Michael Tynes, Michael Taylor, Jan Janssen, Daniel J. Burrill, Danny Perez, Ping Yang, Nicholas Lubbers
Advances in machine learning have given rise to a plurality of data-driven methods for predicting chemical properties from molecular structure. For many decades, the cheminformatics field has relied heavily on…
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