Chemistry

DECIMER.ai: an open platform for automated optical chemical structure identification, segmentation and recognition in scientific publications

K. Rajan, H. O. Brinkhaus, et al.

Discover DECIMER.ai, an innovative open-source platform that automates the extraction and interpretation of chemical structures from scientific literature! Developed by Kohulan Rajan, Henning Otto Brinkhaus, M. Isabel Agea, Achim Zielesny, and Christoph Steinbeck, this powerful tool leverages advanced segmentation and classification technologies for superior chemical structure recognition. Explore its impressive capabilities and publicly available resources!

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Abstract

The paper introduces DECIMER.ai, an open-source platform for automated extraction and interpretation of chemical structures from scientific literature. It combines three key components: DECIMER Segmentation (for detecting and segmenting chemical structures), DECIMER Image Classifier (for identifying images containing chemical structures), and DECIMER Image Transformer (for converting depictions into machine-readable SMILES format). The platform's OCSR (Optical Chemical Structure Recognition) engine shows superior performance on benchmark datasets. All source code, trained models, and datasets are publicly available under permissive licenses.

Publisher

Nature Communications

Published On

Aug 19, 2023

Authors

Kohulan Rajan, Henning Otto Brinkhaus, M. Isabel Agea, Achim Zielesny, Christoph Steinbeck

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