# Towards Large-scale Chemical Reaction Image Parsing via a Multimodal Large Language Model

arXiv: https://arxiv.org/abs/2503.08156 · HTML: https://mlsanity.com/paper/2503.08156/

## Key facts

- Cited by 4 papers in the map (data through 14 Oct 2026).
- Builds on 23 of its 48 references that are in the map.
- First posted on arXiv 11 Mar 2025.

## Builds on (most cited first, 23 of 23)

- [Attention Is All You Need](https://mlsanity.com/paper/1706.03762/) (2017)
- [Deep Residual Learning for Image Recognition](https://mlsanity.com/paper/1512.03385/) (2015)
- [Language Models are Few-Shot Learners](https://mlsanity.com/paper/2005.14165/) (2020)
- [Training language models to follow instructions with human feedback](https://mlsanity.com/paper/2203.02155/) (2022)
- [Exploring the Limits of Transfer Learning with a Unified Text-to-Text Transformer](https://mlsanity.com/paper/1910.10683/) (2019)
- [LLaMA: Open and Efficient Foundation Language Models](https://mlsanity.com/paper/2302.13971/) (2023)
- [Llama 2: Open Foundation and Fine-Tuned Chat Models](https://mlsanity.com/paper/2307.09288/) (2023)
- [Flamingo: a Visual Language Model for Few-Shot Learning](https://mlsanity.com/paper/2204.14198/) (2022)
- [OPT: Open Pre-trained Transformer Language Models](https://mlsanity.com/paper/2205.01068/) (2022)
- [Deformable DETR: Deformable Transformers for End-to-End Object Detection](https://mlsanity.com/paper/2010.04159/) (2020)
- [HuggingGPT: Solving AI Tasks with ChatGPT and its Friends in Hugging Face](https://mlsanity.com/paper/2303.17580/) (2023)
- [Kosmos-2: Grounding Multimodal Large Language Models to the World](https://mlsanity.com/paper/2306.14824/) (2023)
- [Shikra: Unleashing Multimodal LLM's Referential Dialogue Magic](https://mlsanity.com/paper/2306.15195/) (2023)
- [VideoChat: Chat-Centric Video Understanding](https://mlsanity.com/paper/2305.06355/) (2023)
- [Visual ChatGPT: Talking, Drawing and Editing with Visual Foundation Models](https://mlsanity.com/paper/2303.04671/) (2023)
- [MM-REACT: Prompting ChatGPT for Multimodal Reasoning and Action](https://mlsanity.com/paper/2303.11381/) (2023)
- [VisionLLM: Large Language Model is also an Open-Ended Decoder for Vision-Centric Tasks](https://mlsanity.com/paper/2305.11175/) (2023)
- [Pix2seq: A Language Modeling Framework for Object Detection](https://mlsanity.com/paper/2109.10852/) (2021)
- [GPT4RoI: Instruction Tuning Large Language Model on Region-of-Interest](https://mlsanity.com/paper/2307.03601/) (2023)
- [MolScribe: Robust Molecular Structure Recognition with Image-To-Graph Generation](https://mlsanity.com/paper/2205.14311/) (2022)
- [Molecular Structure Extraction From Documents Using Deep Learning](https://mlsanity.com/paper/1802.04903/) (2018)
- [ChemGrapher: Optical Graph Recognition of Chemical Compounds by Deep Learning](https://mlsanity.com/paper/2002.09914/) (2020)
- [RxnScribe: A Sequence Generation Model for Reaction Diagram Parsing](https://mlsanity.com/paper/2305.11845/) (2023)

## Built on by (most cited first, 4 of 4)

- [Evaluating Large Language Models on Multimodal Chemistry Olympiad Exams](https://mlsanity.com/paper/2512.14989/) (2025)
- [MinerU.Chem: A High-Precision System for Optical Chemical Structure and Reaction Recognition](https://mlsanity.com/paper/2608.03525/) (2026)
- [MACReD: A Multi-Agent Collaborative Reasoning Framework for Reaction Diagram Parsing](https://mlsanity.com/paper/2605.28077/) (2026)
- [ViCoR: Reliable Molecular Structure Extraction via Spatially Aligned Verification and Executable Revision](https://mlsanity.com/paper/2609.33603/) (2026)

## Abstract (arXiv)

Artificial intelligence (AI) has demonstrated significant promise in advancing organic chemistry research; however, its effectiveness depends on the availability of high-quality chemical reaction data. Currently, most published chemical reactions are not available in machine-readable form, limiting the broader application of AI in this field. The extraction of published chemical reactions into structured databases still relies heavily on manual curation, and robust automatic parsing of chemical reaction images into machine-readable data remains a significant challenge. To address this, we introduce the Reaction Image Multimodal large language model (RxnIM), the first multimodal large language model specifically designed to parse chemical reaction images into machine-readable reaction data. RxnIM not only extracts key chemical components from reaction images but also interprets the textual content that describes reaction conditions. Together with specially designed large-scale dataset generation method to support model training, our approach achieves excellent performance, with an average F1 score of 88% on various benchmarks, surpassing literature methods by 5%. This represents a crucial step toward the automatic construction of large databases of machine-readable reaction data parsed from images in the chemistry literature, providing essential data resources for AI research in chemistry. The source code, model checkpoints, and datasets developed in this work are released under permissive licenses. An instance of the RxnIM web application can be accessed at https://huggingface.co/spaces/CYF200127/RxnIM.