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cs.LG2022★ 1 cited
Reduction Algorithms for Persistence Diagrams of Networks: CoralTDA and PrunIT
Cuneyt Gurcan Akcora, Murat Kantarcioglu, Yulia R. Gel +1
Topological data analysis (TDA) delivers invaluable and complementary information on the intrinsic properties of data inaccessible to conventional methods. However, high computatio…
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…