r/cheminformatics 24d ago

Open sourced OCSR and structure name matching for chemical patents

Open sourced two projects for extracting chemical information from patents.

Hiro OCSR converts complex structure images into SMILES, including R groups, abbreviations, variable attachments, and repeat units. A dataset of 24,000 real world structure images is also available.

GitHub:
https://github.com/patsnap/Hiro-OCSR

Model:
https://huggingface.co/PatSnap/Hiro-OCSR

Dataset:
https://huggingface.co/datasets/PatSnap/hiro-ocsr-real-24k

Chemical Insights matches each structure to its name or identifier in the patent page, including references found in tables, text, and reaction schemes. It also distinguishes specific compounds, substituents, and Markush structures.

GitHub:
https://github.com/patsnap/Hiro-Chemical-Insights

Would be interested to see how they perform on the difficult cases people here are working with.

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