coconut_smiles_nostereo_heldout20
收藏Figshare2023-05-18 更新2026-04-08 收录
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https://springernature.figshare.com/articles/dataset/coconut_smiles_nostereo_heldout20/22323430/1
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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)
提供机构：
Adaikkappan, Krishnan; Ang, Shi Jun; Tay, Dillon; Lim, Yee Hwee; Yeo, Naythan
创建时间：
2023-05-18
