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Interpretable Multitask Deep Learning Models for Odor Perception Based on Molecular Structure

delete2025-10-08
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Hiroaki Iwata *
DOI:10.1016/j.crfs.2025.101219delete
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Abstract

Abstract

En 中文
• Developed an interpretable multitask GNN model for odor prediction • Achieved superior accuracy over single-task and Random Forest models • Model identifies shared molecular features across multiple odor labels • Integrated Gradients revealed key substructures driving odor predictions
Keywords:
Odor prediction
Graph neural network
Olfactory receptor
Explainable AI
Multitask learning
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Key information extracted from the uploaded paper, including a brief overview, abstract, background, key highlights, visual analysis, and future outlook.

Journal

Current Research in Food Science cover
Current Research in Food Science
IF:
7
Papers:
1.6K
Citations:
5.3K

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