259 citations · 631 across the 36 of their papers we have counts for
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q-bio.BM2020★ 1 cited
Ollivier persistent Ricci curvature (OPRC) based molecular representation for drug design
JunJie Wee, Kelin Xia
Efficient molecular featurization is one of the major issues for machine learning models in drug design. Here we propose persistent Ricci curvature (PRC), in particular Ollivier pe…
q-bio.QM2020★ 11 cited
Persistent spectral based machine learning (PerSpect ML) for drug design
Zhenyu Meng, Kelin Xia
In this paper, we propose persistent spectral based machine learning (PerSpect ML) models for drug design. Persistent spectral models, including persistent spectral graph, persiste…