• search hit 29 of 44
Back to Result List

DECIMER - Hand-drawn molecule images dataset

  • The translation of images of chemical structures into machine-readable representations of the depicted molecules is known as optical chemical structure recognition (OCSR). There has been a lot of progress over the last three decades in this field, but the development of systems for the recognition of complex hand-drawn structure depictions is still at the beginning. Currently, there is no data for the systematic evaluation of OCSR methods on hand-drawn structures available. Here we present DECIMER - Hand-drawn molecule images, a standardised, openly available benchmark dataset of 5088 hand-drawn depictions of diversely picked chemical structures. Every structure depiction in the dataset is mapped to a machine-readable representation of the underlying molecule. The dataset is openly available and published under the CC-BY 4.0 licence which applies very few limitations. We hope that it will contribute to the further development of the field.

Export metadata

Additional Services

Share in Twitter Search Google Scholar
Metadaten
Author:Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck, Kohulan Rajan
Document Type:Preprint
Language:English
Date of Publication (online):2022/04/13
Year of first Publication:2022
Publishing Institution:Westfälische Hochschule Gelsenkirchen Bocholt Recklinghausen
Release Date:2022/12/21
Tag:Chemical structure depictions; Deep learning; Hand-drawn images; Molecule images; OCSR; Optical Chemical Structure Recognition
Departments / faculties:Institute / Institut für biologische und chemische Informatik
Licence (German):License LogoEs gilt das Urheberrechtsgesetz

$Rev: 13159 $