What can Attribution Strategies display us about Chemical Language Fashions?

Digital Discovery, 2024, Accepted Manuscript
DOI: 10.1039/D4DD00084F, Paper

Open Access

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

Stefan Hödl, Tal Kachman, Yoram Bachrach, Wilhelm Huck, William Robinson
Language models trained on molecular string representations have shown strong performance in predictive and generative tasks. However, practical applications require not only making accurate predictions, but also explainability – the…
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