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Understanding the chemical structure from a graphical representation of a molecule is a challenging image caption task that would greatly benefit molecule-centric scientific discovery. Variations in molecular images and caption subtasks…

计算机视觉与模式识别 · 计算机科学 2025-05-23 Siqi Fan , Yuguang Xie , Bowen Cai , Ailin Xie , Gaochao Liu , Mu Qiao , Jie Xing , Zaiqing Nie

Molecular structures are always depicted as 2D printed form in scientific documents like journal papers and patents. However, these 2D depictions are not machine-readable. Due to a backlog of decades and an increasing amount of these…

Optical Chemical Structure Recognition (OCSR) plays a pivotal role in modern chemical informatics, enabling the automated conversion of chemical structure images from scientific literature, patents, and educational materials into…

计算机视觉与模式识别 · 计算机科学 2025-11-24 Wenrui Zhang , Xinggang Wang , Bin Feng , Wenyu Liu

The crucial field of Optical Chemical Structure Recognition (OCSR) aims to transform chemical structure photographs into machine-readable formats so that chemical databases may be efficiently stored and queried. Although a number of OCSR…

机器学习 · 计算机科学 2025-02-25 Zishuo Lin , Jiajie Wang , Zhe Yan , Peiyong Ma

Optical chemical structure recognition (OCSR) systems aim to extract the molecular structure information, usually in the form of molecular graph or SMILES, from images of chemical molecules. While many tools have been developed for this…

计算机视觉与模式识别 · 计算机科学 2024-07-29 Ching Ting Leung , Yufan Chen , Hanyu Gao

Optical Chemical Structure Recognition (OCSR) is critical for converting 2D molecular diagrams from printed literature into machine-readable formats. While Vision-Language Models have shown promise in end-to-end OCR tasks, their direct…

计算机视觉与模式识别 · 计算机科学 2026-04-22 Haocheng Tang , Xingyu Dang , Junmei Wang

In recent decades, chemistry publications and patents have increased rapidly. A significant portion of key information is embedded in molecular structure figures, complicating large-scale literature searches and limiting the application of…

计算机视觉与模式识别 · 计算机科学 2025-09-22 Xi Fang , Jiankun Wang , Xiaochen Cai , Shangqian Chen , Shuwen Yang , Haoyi Tao , Nan Wang , Lin Yao , Linfeng Zhang , Guolin Ke

Optical chemical structure recognition (OCSR) translates molecular images into machine-readable representations like SMILES strings or molecular graphs, but remains challenging in real-world documents due to inexhaustible variations in…

计算机视觉与模式识别 · 计算机科学 2026-04-28 Zhuoqi Lyu , Qing Ke

Identifying the chemical structure from a graphical representation, or image, of a molecule is a challenging pattern recognition task that would greatly benefit drug development. Yet, existing methods for chemical structure recognition do…

计算机视觉与模式识别 · 计算机科学 2024-04-03 Martijn Oldenhof , Edward De Brouwer , Adam Arany , Yves Moreau

Molecular structure recognition is the task of translating a molecular image into its graph structure. Significant variation in drawing styles and conventions exhibited in chemical literature poses a significant challenge for automating…

计算机视觉与模式识别 · 计算机科学 2023-03-22 Yujie Qian , Jiang Guo , Zhengkai Tu , Zhening Li , Connor W. Coley , Regina Barzilay

In the field of chemical structure recognition, the task of converting molecular images into machine-readable data formats such as SMILES string stands as a significant challenge, primarily due to the varied drawing styles and conventions…

计算机视觉与模式识别 · 计算机科学 2025-03-12 Yufan Chen , Ching Ting Leung , Yong Huang , Jianwei Sun , Hao Chen , Hanyu Gao

The extraction of molecular structures and reaction data from scientific documents is challenging due to their varied, unstructured chemical formats and complex document layouts. To address this, we introduce MolMole, a vision-based deep…

Optical Chemical Structure Recognition (OCSR) is essential for converting molecular images into machine-readable formats. While recent vision-language models (VLMs) have shown promise, their image-captioning approach often struggles with…

The primary objective of Optical Chemical Structure Recognition is to identify chemical structure images into corresponding markup sequences. However, the complex two-dimensional structures of molecules, particularly those with rings and…

计算机视觉与模式识别 · 计算机科学 2025-02-04 Qikai Chang , Mingjun Chen , Changpeng Pi , Pengfei Hu , Zhenrong Zhang , Jiefeng Ma , Jun Du , Baocai Yin , Jinshui Hu

The automatic analysis of chemical literature has immense potential to accelerate the discovery of new materials and drugs. Much of the critical information in patent documents and scientific articles is contained in figures, depicting the…

计算机视觉与模式识别 · 计算机科学 2024-08-29 Lucas Morin , Martin Danelljan , Maria Isabel Agea , Ahmed Nassar , Valery Weber , Ingmar Meijer , Peter Staar , Fisher Yu

Multi-label image classification (MLIC) is a fundamental and practical task, which aims to assign multiple possible labels to an image. In recent years, many deep convolutional neural network (CNN) based approaches have been proposed which…

计算机视觉与模式识别 · 计算机科学 2023-10-10 Xiwen Qu , Hao Che , Jun Huang , Linchuan Xu , Xiao Zheng

While Large Language Models (LLMs) have revolutionized scientific text processing, they exhibit a significant capability gap when interpreting chemical reaction diagrams. We identify two fundamental bottlenecks restricting current systems:…

人工智能 · 计算机科学 2026-05-19 Mingyang Rao , Kehua Feng , Zhihui Zhu , Jiangzhen Fu , Hao Yu , Keyan Ding , Huajun Chen

With the widespread application of multimodal large language models in scientific intelligence, there is an urgent need for more challenging evaluation benchmarks to assess their ability to understand complex scientific data. Scientific…

人工智能 · 计算机科学 2025-12-12 Yitong Zhou , Mingyue Cheng , Qingyang Mao , Yucong Luo , Qi Liu , Yupeng Li , Xiaohan Zhang , Deguang Liu , Xin Li , Enhong Chen

No standardized benchmark exists for evaluating OCR on food packaging, despite its critical role in automated halal food verification. Existing benchmarks target documents or scene text, missing the unique challenges of ingredient labels:…

计算机视觉与模式识别 · 计算机科学 2026-04-28 Hasan Arief

Scoring the Optical Character Recognition (OCR) capabilities of Large Multimodal Models (LMMs) has witnessed growing interest. Existing benchmarks have highlighted the impressive performance of LMMs in text recognition; however, their…

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