相关实验视频

Updated: Jan 8, 2026

Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins
05:08

Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins

Published on: July 8, 2025

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超越坦尼莫托:一个已知的生物活性相似性指数增强了连接体发现

Gustavo Schottlender1, Juan Manuel Prieto2,3, Marcelo A Marti3,4

  • 1Instituto de Cálculo, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, CONICET, Universidad de Buenos Aires, Buenos Aires, Argentina.

Frontiers in bioinformatics
|December 15, 2025
PubMed
概括

结构相似度指标错过了许多功能药物对. 新的生物活性相似性指数 (BSI) 机器学习模型识别了功能相等但结构不同的化合物,改善了药物发现.

关键词:
BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI BSI B在ChemBERTA中使用.生物活性相似性指数紧固件的使用方法机器学习是机器学习.分子嵌入基线的基线.虚拟选 虚拟选 虚拟选

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