DOS-MCR dataset for Curated Dataset of Heterocyclic MCR-DOS Scaffolds for Retrosynthetic Benchmarking
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The attached .csv file contains the SMILES input data (SMILES of target column) and reaction Smiles (Reaction Smiles column) There are 18 scaffolds as of 02-05-2026.More scaffolds for training will be uploaded as per analyses These scaffolds have been used to benchmark ML based retrosynthetic models for heterocyclic complexity
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Zenodo创建时间：
2026-05-02
