Papers by Lantian Zhang
MCLE-Mol: Empowering LLM with Molecular Comprehension and Low-Cost Continual Evolution for Interpretable Property Prediction (2026.findings-acl)
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Zhili Pu, Lantian Zhang, Hao Duan, Zhixing Zhang, Keyun Zhu, Yongqi Fan, Ruihui Hou, Tong Ruan, Yun Tang
| Challenge: | Large language models (LLMs) offer a new paradigm for molecular property prediction (MPP), yet a semantic gap between natural language and molecul representations limits their ability to capture structure–activity relationships (SAR). |
| Approach: | They propose an ML–LLM–Rule collaborative framework for MPP that injects ML-derived substructure attribution values into LLMs and calibrates them under specific chemical contexts. |
| Outcome: | The proposed framework outperforms baseline models on multiple benchmark datasets and is highly interpretable. |