Towards the design of artificial sensing materials via quantum-informed explainable AI

Abstract Computational design of sensing materials remains fundamentally challenging due to the vast configurational landscape and the absence of robust property correlations that enable efficient molecular representation. These challenges become particularly critical in healthcare applications, whe...

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Главные авторы:	Li Chen, Leonardo Medrano Sandonas, Shirong Huang, Alexander Croy, Gianaurelio Cuniberti
Формат:	Artigo
Язык:	Inglês
Опубликовано:	BMC 2026-05-01
Серии:	Journal of Cheminformatics
Предметы:	Quantum-informed descriptors Molecular sensing Explainable AI Healthcare
Online-ссылка:	https://doi.org/10.1186/s13321-026-01232-3
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