coconut_smiles_nostereo_heldout20
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资源简介:
Held-out test dataset of 81,384 unique canonical SMILES without stereochemistry from COCONUT database, January 2022 version (Accessed on 1 August 2022)
创建时间:
2023-05-18

Held-out test dataset of 81,384 unique canonical SMILES without stereochemistry from COCONUT database, January 2022 version (Accessed on 1 August 2022)