Published April 29, 2021
| Version v1
Dataset
Open
DECIMER V1.0 Datasets
Description
The Dataset contains SMILES obtained from PubChem and filtered using DECIMER filtering rules. The Dataset Split into Train and Test datasets. The SELFIES for the corresponding SMILES are also included in the dataset.
1. Dataset 1: Canonical SMILES + SELFIES
2. Dataset 2: Isomeric SMILES + SELFIES
Please refer to the paper for more details:
- Rajan, Kohulan; Zielesny, Achim; Steinbeck, Christoph (2021): DECIMER 1.0: Deep Learning for Chemical Image Recognition using Transformers. ChemRxiv. Preprint. https://doi.org/10.26434/chemrxiv.14479287.v1
Files
Files
(1.6 GB)
| Name | Size | Download all |
|---|---|---|
|
md5:be303bf19607ed53b88f709f6e357b45
|
803.7 MB | Download |
|
md5:c13267117aa184dd00eeb0ca6472aaf2
|
788.5 MB | Download |
Additional details
Related works
- Is required by
- Preprint: 10.26434/chemrxiv.14479287.v1 (DOI)