gbyuvd/bioactives-naturals-smiles-molgen
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资源简介：
Valid Bioactives and Natural Product SMILES数据集包含约270万个有效的SMILES结构，是从ChemBL34、COCONUTDB和Supernatural3数据库中精心构建和整理得到的生物活性和天然产物分子结构数据集。
The Valid Bioactives and Natural Product SMILES dataset contains approximately 2.7 million valid SMILES structures, which are meticulously constructed and curated from the ChemBL34, COCONUTDB, and Supernatural3 databases.
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gbyuvd
