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Multimodal Search in Chemical Documents and Reactions

24 February 2025
A. Shah
Abhisek Dey
Leo Luo
Bryan Amador
Patrick Philippy
Ming Zhong
Siru Ouyang
David Mark Friday
David Bianchi
Nick Jackson
R. Zanibbi
J. Han
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Abstract

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, allowing users to connect different representations of chemical information. To support this, the indexing process includes chemical diagram extraction and parsing, extraction of reaction data from text in tabular form, and cross-modal linking of diagrams and their mentions in text. We describe the system's architecture, key functionalities, and retrieval process, along with expert assessments of the system. This demo highlights the workflow and technical components of the search system.

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@article{shah2025_2502.16865,
  title={ Multimodal Search in Chemical Documents and Reactions },
  author={ Ayush Kumar Shah and Abhisek Dey and Leo Luo and Bryan Amador and Patrick Philippy and Ming Zhong and Siru Ouyang and David Mark Friday and David Bianchi and Nick Jackson and Richard Zanibbi and Jiawei Han },
  journal={arXiv preprint arXiv:2502.16865},
  year={ 2025 }
}
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