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

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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Bibliographic Details
Main Authors: 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: Article
Language:English
Published: Elsevier 2025-01-01
Series:Computational and Structural Biotechnology Journal
Subjects:
Skin sensitization
skin irritation
acute dermal toxicity
explainable predictions
machine learning
molecular representations
Online Access:http://www.sciencedirect.com/science/article/pii/S200103702500323X
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http://www.sciencedirect.com/science/article/pii/S200103702500323X

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