SbD4Skin by EosCloud: Integrating multi-view molecular representation for predicting skin sensitization, irritation, and acute dermal toxicity

Assessing chemical toxicity is essential for understanding potential risks to human health. However, ethical, financial, and scientific challenges have driven the demand for non-animal testing methods. This study introduces a computational framework that leverages diverse molecular representations,...

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Bibliografiske detaljer

Principais autores:	Nikoletta-Maria Koutroumpa, Dimitra-Danai Varsou, Panagiotis D. Kolokathis, Maria Antoniou, Konstantinos D. Papavasileiou, Eleni Papadopoulou, Anastasios G. Papadiamantis, Andreas Tsoumanis, Georgia Melagraki, Milica Velimirovic, Antreas Afantitis
Format:	Artigo
Sprog:	Inglês
Udgivet:	Elsevier 2025-01-01
Serier:	Computational and Structural Biotechnology Journal
Fag:	Skin sensitization skin irritation acute dermal toxicity explainable predictions machine learning molecular representations
Online adgang:	http://www.sciencedirect.com/science/article/pii/S200103702500323X
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