BIMSA > 生物信息讨论班 Report a paper: Persistent spectral hypergraph based machine learning (PSH-ML) for protein-ligand binding affinity prediction
Report a paper: Persistent spectral hypergraph based machine learning (PSH-ML) for protein-ligand binding affinity prediction
组织者
丘成栋
演讲者
孙楠
时间
2022年10月02日 10:00 至 10:30
地点
Online
线上
Tencent 801 3489 7723 ()
摘要
This paper was published in the journal, Briefings in Bioinformatics (IF 13.994, JCR Q1), and was written by Professor Jie Wu. This paper proposed persistent spectral hypergraph (PSH) based molecular descriptors or fingerprints for the first time. The PSH-based molecular descriptors are used in the characterization of molecular structures and interactions, and further combined with machine learning models, in particular gradient boosting tree (GBT), for protein-ligand binding affinity prediction. They got good results. I will report it in detail.