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GUIDEMOL:基于RDKit的分子描述符的Python图形用户界面

Joao Aires-de-Sousa1

  • 1LAQV and REQUIMTE, Chemistry Department, NOVA School of Science and Technology, Universidade Nova de Lisboa, 2829-516, Caparica, Portugal.

Molecular informatics
|October 27, 2023
PubMed
概括

GUIDEMOL是一个用户友好的Python程序,简化了分子结构处理和化学信息学描述器计算. 它提供了易于访问RDKit工具,使得复杂的分析不需要编程知识.

关键词:
三维模型是3D模型.在RDKitit中使用.图形化用户界面 图形化用户界面分子描述器 分子描述器Python 是一个 Python 语言.

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