Song He

28PUBLICATIONS
39CO-AUTHORS
Statistical mechanics in chemistryBiomolecular modelling and designPredictive and prognostic markersCatalysis and mechanisms of reactionsDeep learning
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Publications (28)

|Jun 16, 2026
ToxiSpecies: Task-Aware Meta-Learning for Cross-Species Modeling of Acute Chemical Toxicity under Distribution Shift.

|Jun 08, 2026
Generative pretraining for drug molecule design with bidirectional structure-property optimization.

|May 20, 2026
ToxiGuard: an AOP-guided mechanistically interpretable framework for multi-organ toxicity prediction.

|Apr 14, 2026
A Multitask Active Learning Framework with Probabilistic Modeling for Multi-Species Acute Toxicity Prediction.

Tianyu Han, Jingjing Wang, Yanpeng Zhao

|Apr 13, 2026
Development, Evaluation and Application of a Multi-Representation Fusion Model for Accurate Prediction of Per- and Polyfluoroalkyl Substance (PFAS) Binding to Plasma Proteins.

Junshan Han, Xinyu Song, Duoyun Yi

|Mar 11, 2026
A meta learning and task adaptive approach for drug target affinity prediction.

Mengxuan Wan, Yanpeng Zhao, Yixin Zhang

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Frequent Collaborators

10 joint publications

Xiaochen Bo

8 joint publications

Lianlian Wu

6 joint publications

Yanpeng Zhao

5 joint publications

Peng Zan