3 papers
cs.LG2025
FGBench: A Dataset and Benchmark for Molecular Property Reasoning at Functional Group-Level in Large Language Models
Xuan Liu, Siru Ouyang, Xianrui Zhong +2
Large language models (LLMs) have gained significant attention in chemistry. However, most existing datasets center on molecular-level property prediction and overlook the role of…
cs.CL2024
Chem-FINESE: Validating Fine-Grained Few-shot Entity Extraction through Text Reconstruction
Qingyun Wang, Zixuan Zhang, Hongxiang Li +4
Fine-grained few-shot entity extraction in the chemical domain faces two unique challenges. First, compared with entity extraction tasks in the general domain, sentences from chemi…
cs.CL2023
Structured Chemistry Reasoning with Large Language Models
Siru Ouyang, Zhuosheng Zhang, Bing Yan +4
Large Language Models (LLMs) excel in diverse areas, yet struggle with complex scientific reasoning, especially in the field of chemistry. Different from the simple chemistry tasks…