DECIMER V1.0 Datasets
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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
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Zenodo创建时间：
2021-05-16
