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Related papers: OpenChemIE: An Information Extraction Toolkit For …

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Structured chemical reaction information plays a vital role for chemists engaged in laboratory work and advanced endeavors such as computer-aided drug design. Despite the importance of extracting structured reactions from scientific…

Computation and Language · Computer Science 2023-07-06 Ming Zhong , Siru Ouyang , Minhao Jiang , Vivian Hu , Yizhu Jiao , Xuan Wang , Jiawei Han

The number of published articles in the field of materials science is growing rapidly every year. This comparatively unstructured data source, which contains a large amount of information, has a restriction on its re-usability, as the…

Computation and Language · Computer Science 2021-01-26 Souradip Guha , Ankan Mullick , Jatin Agrawal , Swetarekha Ram , Samir Ghui , Seung-Cheol Lee , Satadeep Bhattacharjee , Pawan Goyal

The development of AI-assisted chemical synthesis tools requires comprehensive datasets covering diverse reaction types, yet current high-throughput experimental (HTE) approaches are expensive and limited in scope. Chemical literature…

Information Retrieval · Computer Science 2025-07-01 Kexin Chen , Yuyang Du , Junyou Li , Hanqun Cao , Menghao Guo , Xilin Dang , Lanqing Li , Jiezhong Qiu , Pheng Ann Heng , Guangyong Chen

To fully expedite AI-powered chemical research, high-quality chemical databases are the foundation. Automatic extraction of chemical information from the literature is essential for constructing reaction databases, but it is currently…

Artificial Intelligence · Computer Science 2026-03-09 Yufan Chen , Ching Ting Leung , Bowen Yu , Jianwei Sun , Yong Huang , Linyan Li , Hao Chen , Hanyu Gao

Open Information Extraction (OpenIE) facilitates domain-independent discovery of relational facts from large corpora. The technique well suits many open-world natural language understanding scenarios, such as automatic knowledge base…

Computation and Language · Computer Science 2022-06-29 Shaowen Zhou , Bowen Yu , Aixin Sun , Cheng Long , Jingyang Li , Haiyang Yu , Jian Sun , Yongbin Li

Open Information Extraction (OIE) is the task of the unsupervised creation of structured information from text. OIE is often used as a starting point for a number of downstream tasks including knowledge base construction, relation…

Computation and Language · Computer Science 2018-08-23 Paul Groth , Michael Lauruhn , Antony Scerri , Ron Daniel

Automatically extracting key information from scientific documents has the potential to help scientists work more efficiently and accelerate the pace of scientific progress. Prior work has considered extracting document-level entity…

Digital Libraries · Computer Science 2021-06-04 Vijay Viswanathan , Graham Neubig , Pengfei Liu

Large language models with instruction-following capabilities open the door to a wider group of users. However, when it comes to information extraction - a classic task in natural language processing - most task-specific systems cannot…

Computation and Language · Computer Science 2023-10-25 Yizhu Jiao , Ming Zhong , Sha Li , Ruining Zhao , Siru Ouyang , Heng Ji , Jiawei Han

This paper presents a large language model (LLM) agent named AgentCAT, which extracts and analyzes catalytic reaction data from chemical engineering papers, %and supports natural language based interactive analysis of the extracted data.…

Chemical Physics · Physics 2026-02-24 Wei Yang , Zihao Liu , Tao Tan , Xiao Hu , Hong Xie , Lulu Li Xin Li , Jianyu Han , Defu Lian , Mao Ye

This paper focuses on using natural language descriptions to enhance predictive models in the chemistry field. Conventionally, chemoinformatics models are trained with extensive structured data manually extracted from the literature. In…

Computation and Language · Computer Science 2023-12-11 Yujie Qian , Zhening Li , Zhengkai Tu , Connor W. Coley , Regina Barzilay

Sampled structure sequences obtained, for instance, from real-time reactivity explorations or first-principles molecular dynamics simulations contain valuable information about chemical reactivity. Eventually, such sequences allow for the…

Chemical Physics · Physics 2018-04-25 Michael A. Heuer , Alain C. Vaucher , Moritz P. Haag , Markus Reiher

This study presents OpenExtract, an open-source pipeline for automated data extraction in large-scale systematic literature reviews. The pipeline queries large language models (LLMs) to predict data entries based on relevant sections of…

Open Information Extraction (OpenIE) aims to extract structured relational tuples (subject, relation, object) from sentences and plays critical roles for many downstream NLP applications. Existing solutions perform extraction at sentence…

Computation and Language · Computer Science 2021-05-12 Kuicai Dong , Yilin Zhao , Aixin Sun , Jung-Jae Kim , Xiaoli Li

With the abundant amount of available online and offline text data, there arises a crucial need to extract the relation between phrases and summarize the main content of each document in a few words. For this purpose, there have been many…

Information Retrieval · Computer Science 2023-10-19 Serafina Kamp , Morteza Fayazi , Zineb Benameur-El , Shuyan Yu , Ronald Dreslinski

Biomedical information extraction (BioIE) is important to many applications, including clinical decision support, integrative biology, and pharmacovigilance, and therefore it has been an active research. Unlike existing reviews covering a…

Computation and Language · Computer Science 2016-06-28 Feifan Liu , Jinying Chen , Abhyuday Jagannatha , Hong Yu

We present a multimodal search tool that facilitates retrieval of chemical reactions, molecular structures, and associated text from scientific literature. Queries may combine molecular diagrams, textual descriptions, and reaction data,…

In the rapidly evolving field of scientific research, efficiently extracting key information from the burgeoning volume of scientific papers remains a formidable challenge. This paper introduces an innovative framework designed to automate…

Information Retrieval · Computer Science 2024-01-31 Yangyang Liu , Shoubin Li

Biology is perhaps the most complex of the sciences, given the incredible variety of chemical species that are interconnected in spatial and temporal pathways that are daunting to understand. Their interconnections lead to emergent…

Biological Physics · Physics 2023-09-11 Henry V. Jakubowski , Henry Agnew , Bartholomew E. Jardine , Herbert M. Sauro

The work presented in this master thesis consists of extracting a set of events from texts written in natural language. For this purpose, we have based ourselves on the basic notions of the information extraction as well as the open…

Computation and Language · Computer Science 2019-07-03 Sihem Sahnoun

Open Information Extraction (OIE) aims to extract objective structured knowledge from natural texts, which has attracted growing attention to build dedicated models with human experience. As the large language models (LLMs) have exhibited…

Computation and Language · Computer Science 2023-10-17 Ji Qi , Kaixuan Ji , Xiaozhi Wang , Jifan Yu , Kaisheng Zeng , Lei Hou , Juanzi Li , Bin Xu
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