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)

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|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

Lianlian Wu

Yanpeng Zhao

Peng Zan

Xiaochen Bo

Zhongnan Zhang

Yuqi Wen

Mengfan Li

Bowei Yan

Kunhong Liu

Frequent Collaborators

10 joint publications

Xiaochen Bo

8 joint publications

Lianlian Wu

6 joint publications

Yanpeng Zhao

5 joint publications

Peng Zan