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Updated: Jul 12, 2025

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分子性质诊断套件复合库 (MPDS-CL):基于结构的化学空间分类

Lijo John1,2, Selvaraman Nagamani1,2, Hridoy Jyoti Mahanta1,2

  • 1Advanced Computation and Data Sciences Division, CSIR - North East Institute of Science and Technology, Jorhat, 785006, India.

Molecular diversity
|October 30, 2023
PubMed
概括

分子性质诊断套件复合库 (MPDS-CL) 使用基于结构的方法对近1.5亿个分子进行了分类. 这个开源门户网站为每个化合物分配了一个独特的MPDS-AadharID,促进了高效的搜索和相似性分析.

关键词:
化学空间 化学空间复合库是一个复合库.在MPDS-AadharID中使用.结构分类结构分类

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