Predict SMILES encodings of chemical structure depictions in images

Version 2 (latest version)

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Record description

Title: Predict SMILES encodings of chemical structure depictions in images
DOI: https://doi.org/10.82595/scilifelab.rtnmp-r6626
Description: Allows users to either upload an image file or take a picture using their webcam and get a prediction the chemical structure depicted in the image in SMILES notation.
Subjects and keywords: chemical structure
URL: https://image-to-smiles.serve.scilifelab.se
Source code: https://github.com/ScilifelabDataCentre/streamlit-image-to-smiles
Docker image: ghcr.io/scilifelabdatacentre/streamlit-image-to-smiles:20261023-165911
Date submitted: 2024-11-11 09:01
Date updated: 2026-10-23 17:26
Date available: 2026-04-24 13:17
Language: English

Version 2:
https://doi.org/10.82595/scilifelab.rtnmp-r6626 current

Version 1:
https://doi.org/10.82595/scilifelab.d7myn-8y155

To cite all versions, use the following DOI:
https://doi.org/10.82595/scilifelab.2wn6k-x5b15