DOS-MCR dataset for Curated challenge 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) There are 86 scaffolds as of 21-07-2026. Further molecules will be uploaded as per predictions and analyses These scaffolds have been used to analyse ML based retrosynthetic models for heterocyclic complexity predictions
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Zenodo创建时间：
2026-08-12
