ULEO: Unified Language of Experiment Operations for Representation of Synthesis Protocols
Fu Yun1,2,Zhu Liya1,Li Dan1,Sun Mengge1,2,Zhang Jianfeng3,Liu Xiwen1,2()
1National Science Library, Chinese Academy of Sciences, Beijing 100190, China 2Department of Information Resources Management, School of Economics and Management, University of Chinese Academy of Sciences, Beijing 100190, China 3Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China
[Objective] This study addresses the unified representation issue of experimental operation verbs in synthetic experiment protocols, which provides high-quality experimental protocol data for science intelligence and robotics. [Methods] We utilized a collaborative approach driven by data and expert knowledge to identify and standardize experimental operation verbs from literature and patent texts related to synthesis. First, we used advanced open-source large models like ChatGLM2-6B to identify experimental operation verbs. Then, we combined Wu-Palmer and cosine similarity to standardize these verbs. Finally, we assessed their classification accuracy with expert knowledge. [Results] The study identified 149 operation verbs for inorganic synthetic experiments and 141 operation verbs for organic synthetic experiments. Expert judgment revealed that many of the 124 operation terms appearing in both groups do not possess distinct category characteristics. Therefore, we merged the two categories to have 166 experimental operation verbs representing the operations in organic, inorganic, and hybrid synthesis experiments. [Limitations] The study only employed basic prompt engineering techniques to direct the large model to recognize experimental operation verbs from publicly accessible datasets. This study focused on operation terms involved in synthesis, engineering, and basic steps without considering operation terms in dynamic, analytical, and name reactions. [Conclusions] This study establishes a unified language for representing experimental operations in synthesis, applicable to organic, inorganic, and hybrid synthesis reactions. It could inform the future development of scientific robotics experiments.
付芸, 朱丽雅, 李丹, 孙蒙鸽, 张建锋, 刘细文. ULEO：表示合成实验规程的实验操作统一语言*[J]. 数据分析与知识发现, 2024, 8(1): 30-39.
Fu Yun, Zhu Liya, Li Dan, Sun Mengge, Zhang Jianfeng, Liu Xiwen. ULEO: Unified Language of Experiment Operations for Representation of Synthesis Protocols. Data Analysis and Knowledge Discovery, 2024, 8(1): 30-39.
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