323 citations · 874 across the 19 of their papers we have counts for
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cs.LG2023
SE(3)-Invariant Multiparameter Persistent Homology for Chiral-Sensitive Molecular Property Prediction
Andac Demir, Francis Prael, Bulent Kiziltan
In this study, we present a novel computational method for generating molecular fingerprints using multiparameter persistent homology (MPPH). This technique holds considerable sign…
cs.LG2022
ToDD: Topological Compound Fingerprinting in Computer-Aided Drug Discovery
Andac Demir, Baris Coskunuzer, Ignacio Segovia-Dominguez +3
In computer-aided drug discovery (CADD), virtual screening (VS) is used for identifying the drug candidates that are most likely to bind to a molecular target in a large library of…