FragNet: A Graph Neural Network for Molecular Property Prediction with Four Layers of Interpretability

作者：Gihan Panapitiya, Peiyuan Gao, C Mark Maupin, Emily Saldanha · 发表于：Research Square · 年份：2024 · DOI：10.21203/rs.3.rs-5283906/v1 · 被引用次数：6 · 研究领域：Computational Drug Discovery Methods、Machine Learning in Materials Science、Various Chemistry Research Topics