Machine learning prediction of multiple distinct high-affinity chemotypes for α-synuclein fibrils

Chemical Communications 2026 Open access

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Authors: X.D. Li, Ryann M. Perez, Zhude Tu, Robert H. Mach, Sam G. Giannakoulias, E. James Petersson

DOI: 10.1039/d5cc06228d

Cited by: 0

References: 18

Abstract

To identify new ligands for positron emission tomography imaging of α-synuclein aggregates, we developed a machine learning model trained on

Computational Drug Discovery Methods Machine Learning in Materials Science Parkinson's Disease Mechanisms and Treatments

References 18