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

• المؤلفون الرئيسيون: Meng, Zhenyu, Xia, Kelin
• مؤلفون آخرون: School of Physical and Mathematical Sciences
• التنسيق: مقال
• اللغة: English
• منشور في: 2021
• الموضوعات: Science::Biological sciences; Binding Energy; Chemical Analysis
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/151043

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...