DECIMER - Hand-drawn molecule images dataset
- 1. Institute for Inorganic and Analytical Chemistry, Friedrich-Schiller-University Jena, Lessingstr. 8, 07743 Jena, Germany
- 2. Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, D-45665 Recklinghausen, Germany
Contributors
Others:
- Ates, Muammer1
- Behr, Samuel1
- Bredtmann, Thilo1
- Cassano, Michele1
- Chanthirakanthan, Saaruky1
- Dagtekin, Zeynep1
- Finke, Dustin1
- Gleißenberger, Janina1
- Sarah Kantar, Safiye1
- Krützner, Irina1
- Maddox, Lilly1
- Matten, Fabian1
- van Meegdenburg, Timo1
- Muminovic, Alisa1
- Paszko, Paulina1
- Reiser, Josefine1
- Rottmann, Maximilian1
- Scharfenberg, Lisa1
- Schoof, Patricia1
- Sevindik, Betül1
- Zehra Sevindik, Fatma1
- Sipahi, Kaan1
- Zielinski, Julia1
- 1. Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, D-45665 Recklinghausen, Germany
Description
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.