Persistent spectral-based machine learning (PerSpect ML) for protein-ligand binding affinity prediction

Persistent spectral-based machine learning (PerSpect ML) for protein-ligand binding affinity prediction

Molecular descriptors are essential to not only quantitative structure-activity relationship (QSAR) models but also machine learning–based material, chemical, and biological data analysis. Here, we propose persistent spectral–based machine learning (PerSpect ML) models for drug design. Different fro...

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Bibliographic Details
Main Authors:	Meng, Zhenyu, Xia, Kelin
Other Authors:	School of Physical and Mathematical Sciences
Format:	Journal Article
Language:	English
Published:	2021
Subjects:	Science::Biological sciences Binding Energy Chemical Analysis
Online Access:	https://hdl.handle.net/10356/151043

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