ToDD: Topological Compound Fingerprinting in Computer-Aided Drug Discovery

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 compounds. Most VS methods to date have focused on using canonical compound representations (e.g., SMILES strings, Morg...

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Hauptverfasser:	Demir, Andac, Coskunuzer, Baris, Segovia-Dominguez, Ignacio, Chen, Yuzhou, Gel, Yulia, Kiziltan, Bulent
Format:	Artikel
Sprache:	eng
Schlagworte:	Computer Science - Artificial Intelligence Computer Science - Learning Quantitative Biology - Quantitative Methods
Online-Zugang:	Volltext bestellen
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