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Hypergraph based persistent cohomology (HPC) for molecular representations in drug design
Artificial intelligence (AI) based drug design has demonstrated great potential to fundamentally change the pharmaceutical industries. …
Xiang Liu, Xiangjun Wang, Jie Wu, Kelin Xia
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Neighborhood Complex Based Machine Learning (NCML) Models for Drug Design
The importance of drug design cannot be overemphasized. Recently, artificial intelligence (AI) based drug design has begun to gain …
Xiang Liu, Kelin Xia
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Persistent spectral hypergraph based machine learning (PSH-ML) for protein-ligand binding affinity prediction
Molecular descriptors are essential to not only quantitative structure activity/property relationship (QSAR/QSPR) models, but also …
Xiang Liu, Huitao Feng, Jie Wu, Kelin Xia
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