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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…

Computer Vision and Pattern Recognition · Computer Science 2025-11-24 Wenrui Zhang , Xinggang Wang , Bin Feng , Wenyu Liu

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…

Computer Vision and Pattern Recognition · Computer Science 2025-05-23 Siqi Fan , Yuguang Xie , Bowen Cai , Ailin Xie , Gaochao Liu , Mu Qiao , Jie Xing , Zaiqing Nie

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…

Computer Vision and Pattern Recognition · Computer Science 2026-04-22 Haocheng Tang , Xingyu Dang , Junmei Wang

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…

Computer Vision and Pattern Recognition · Computer Science 2024-07-29 Ching Ting Leung , Yufan Chen , Hanyu Gao

Optical Chemical Structure Recognition (OCSR) aims to translate molecular diagrams in scientific literature into machine-readable formats, but current systems remain unreliable on real-world images due to substantial visual and chemical…

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…

Computer Vision and Pattern Recognition · Computer Science 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…

Computer Vision and Pattern Recognition · Computer Science 2024-04-03 Martijn Oldenhof , Edward De Brouwer , Adam Arany , Yves Moreau

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…

Computer Vision and Pattern Recognition · Computer Science 2022-05-24 Youjun Xu , Jinchuan Xiao , Chia-Han Chou , Jianhang Zhang , Jintao Zhu , Qiwan Hu , Hemin Li , Ningsheng Han , Bingyu Liu , Shuaipeng Zhang , Jinyu Han , Zhen Zhang , Shuhao Zhang , Weilin Zhang , Luhua Lai , Jianfeng Pei

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…

Computer Vision and Pattern Recognition · Computer Science 2025-03-12 Yufan Chen , Ching Ting Leung , Yong Huang , Jianwei Sun , Hao Chen , Hanyu Gao

Modern research increasingly relies on automated methods to assist researchers. An example of this is Optical Chemical Structure Recognition (OCSR), which aids chemists in retrieving information about chemicals from large amounts of…

Computer Vision and Pattern Recognition · Computer Science 2023-11-27 Thomas Jurriaans , Kinga Szarkowska , Eric Nalisnick , Markus Schwoerer , Camilo Thorne , Saber Akhondi

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…

Computer Vision and Pattern Recognition · Computer Science 2025-09-22 Xi Fang , Jiankun Wang , Xiaochen Cai , Shangqian Chen , Shuwen Yang , Haoyi Tao , Nan Wang , Lin Yao , Linfeng Zhang , Guolin Ke

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…

Computer Vision and Pattern Recognition · Computer Science 2023-03-22 Yujie Qian , Jiang Guo , Zhengkai Tu , Zhening Li , Connor W. Coley , Regina Barzilay

Automatic extraction of chemical structures from scientific literature plays a crucial role in accelerating research across fields ranging from drug discovery to materials science. Patent documents, in particular, contain molecular…

Computer Vision and Pattern Recognition · Computer Science 2025-10-09 Lucas Morin , Gerhard Ingmar Meijer , Valéry Weber , Luc Van Gool , Peter W. J. Staar

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…

Artificial Intelligence · Computer Science 2026-01-14 Jingchao Wang , Yifan He , Haote Yang , Jiang Wu , Lingli Ge , Xingjian Wei , Yinfan Wang , Linye Li , Huijie Ao , Chengjin Liu , Bin Wang , Lijun Wu , Conghui He

We explore the application of computer vision and machine learning (ML) techniques to predict material properties (e.g. compressive strength) based on SEM images. We show that it's possible to train ML models to predict materials…

Compositional generalization, the ability to reason about novel combinations of familiar concepts, is fundamental to human cognition and a critical challenge for machine learning. Object-centric (OC) representations, which encode a scene as…

Computer Vision and Pattern Recognition · Computer Science 2026-02-19 Ferdinand Kapl , Amir Mohammad Karimi Mamaghan , Maximilian Seitzer , Karl Henrik Johansson , Carsten Marr , Stefan Bauer , Andrea Dittadi

For several decades, chemical knowledge has been published in written text, and there have been many attempts to make it accessible, for example, by transforming such natural language text to a structured format. Although the discovered…

Computer Vision and Pattern Recognition · Computer Science 2022-02-22 Sanghyun Yoo , Ohyun Kwon , Hoshik Lee

Digital camera and mobile document image acquisition are new trends arising in the world of Optical Character Recognition and text detection. In some cases, such process integrates many distortions and produces poorly scanned text or…

Computer Vision and Pattern Recognition · Computer Science 2015-09-14 Abdeslam El Harraj , Naoufal Raissouni

Optical Character Recognition (OCR), the task of extracting textual information from scanned documents is a vital and broadly used technology for digitizing and indexing physical documents. Existing technologies perform well for clean…

Computer Vision and Pattern Recognition · Computer Science 2022-05-18 Daniel Rotman , Ophir Azulai , Inbar Shapira , Yevgeny Burshtein , Udi Barzelay

This paper tackles two key challenges: detecting small, dense, and overlapping objects (a major hurdle in computer vision) and improving the quality of noisy images, especially those encountered in industrial environments. [1, 2]. Our focus…

Computer Vision and Pattern Recognition · Computer Science 2025-09-04 Oussama Messai , Abbass Zein-Eddine , Abdelouahid Bentamou , Mickaël Picq , Nicolas Duquesne , Stéphane Puydarrieux , Yann Gavet
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