A hybrid deep learning framework for toxicity prediction
收藏Figshare2025-09-18 更新2026-04-28 收录
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https://figshare.com/articles/dataset/A_hybrid_deep_learning_framework_for_toxicity_prediction/30156718
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资源简介：
ToxD4C, a novel multi-modal deep learning framework, was developed for the simultaneous classification and regression of diverse molecular toxicity endpoints. ToxD4C uniquely integrates three-dimensional molecular geometries, graph attention networks, and SE(3)-equivariant Transformer architectures, effectively capturing complex stereochemical and electronic molecular features.
创建时间：
2025-09-18
