Derify/augmented_canonical_druglike_QED_Pfizer_15M
收藏Hugging Face2025-09-09 更新2025-10-25 收录
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https://hf-mirror.com/datasets/Derify/augmented_canonical_druglike_QED_Pfizer_15M
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资源简介：
Augmented Canonical Druglike QED Pfizer 15M数据集是从Druglike molecule datasets for drug discovery派生出来的，使用RDKit (2024.9.4)进行了规范化以保持结构一致性。为了增强分子多样性，数据集中有33%的分子通过RDKit的随机SMILES生成方法进行了增强。
The Augmented Canonical Druglike QED Pfizer 15M dataset is derived from the Druglike molecule datasets for drug discovery and has been canonicalized using RDKit (2024.9.4) to ensure structural consistency. To enhance molecular diversity, 33% of the molecules in the dataset have been augmented through RDKits random SMILES generation method.
提供机构：
Derify
