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.
| Author: | Henning Otto Brinkhaus, Achim ZielesnyORCiD, Christoph SteinbeckORCiD, Kohulan RajanORCiD |
|---|---|
| ISSN: | 1758-2946 |
| Parent Title (English): | Journal of Cheminformatics |
| Publisher: | BioMed Central |
| Place of publication: | London |
| Document Type: | Article |
| Language: | English |
| Date of Publication (online): | 2022/06/09 |
| Date of first Publication: | 2022/06/09 |
| Publishing Institution: | Westfälische Hochschule Gelsenkirchen Bocholt Recklinghausen |
| Release Date: | 2022/12/21 |
| Volume: | 14.2022 |
| Page Number: | 5 |
| First Page: | 1 |
| Last Page: | 5 |
| Institutes: | Institute / Institut für biologische und chemische Informatik |
| Licence (German): |


