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Home / Papers / Persistent spectral–based machine learning (PerSpect ML) for protein-ligand binding affinity...

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

DOI: 10.1126/sciadv.abc5329Source
171 Citations•2021•
Zhenyu Meng, Kelin Xia
Science Advances

PerSpect-based machine learning models can significantly improve prediction accuracy for protein-ligand binding affinity prediction and are better than all existing models, as far as the authors know.

Abstract

<jats:p>PerSpect-based machine learning models can significantly improve prediction accuracy for protein-ligand binding affinity.</jats:p>

Persistent spectral–based machine learning (PerSpect ML) for