ToDD: Topological Compound Fingerprinting in Computer-Aided Drug Discovery
Andaç Demir, Barış Coşkunuzer, Ignacio Segovia-Domínguez, Yuzhou Chen, Yulia R. Gel, Bülent Kızıltan
The paper introduces a topological fingerprinting method for drug discovery that outperforms existing approaches on benchmark datasets.
bioRxiv · Nov 8, 2022 · PreprintMolecular Biology