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Supplementary information for the paper: Image2SMILES: Transformer-based Molecular Optical Recognition Engine

descriptionPublicationkeyboard_double_arrow_right Preprint 11 May 2021Publisher:Zenodo
Authors: Khokhlov, Ivan; Krasnov, Lev; Fedorov, Maxim V.; Sosnin, Sergey;

doi: 10.5281/zenodo.4746136 , 10.5281/zenodo.4746135

Supplementary information for the paper: Image2SMILES: Transformer-based Molecular Optical Recognition Engine

Abstract

Supplementary information for the paper: Image2SMILES: Transformer-based Molecular Optical Recognition Engine examples_of_generated_training_images.jpg - examples of generated training images. examples_of_generated_training_images_for_molecules_with_variable_R-groups.jpg - examples of generated training images for molecules with variable R-groups. smarts_templates.txt - a list of SMARTS templates which were used for replacement functional groups.

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Keywords

chemoinformatics, deep learning, transformer, neural networks, ocr

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