Derify/druglike
收藏Hugging Face2025-09-09 更新2025-10-25 收录
下载链接：
https://hf-mirror.com/datasets/Derify/druglike
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资源简介：
Druglike - Augmented SMILES数据集是一个从多个药物分子数据集中收集、去重和处理的综合数据集，包含了类似药物的分子。数据集使用RDKit进行了结构一致性验证，并对部分数据进行了随机SMILES增强，以提高分子的多样性。
The Druglike - Augmented SMILES Dataset is a comprehensive collection of druglike molecules collated from various datasets, deduped and processed. The dataset has been canonicalized using RDKit to ensure structural consistency, and a portion of the dataset has been augmented with random SMILES to enhance molecular diversity.
提供机构：
Derify
