Publication:
Comparative Data Analysis of Virtual Screening Methodologies for Predicting Urease Inhibitory Activity

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2025-10

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journal article

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Valdés-Muñoz, Elizabeth, Olguín-Orellana, Gabriel J., Ríos-Rozas, Sofía E., Alegría-Arcos, Melissa, Morales, Natalia, Rojas-Santander, Vicente, Farías-Abarca, Javier, Palma, Jonathan M., Hernández-Rodríguez, Erix W., Suardíaz, Reynier, Bustos, Daniel

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American Chemical Society

URI

https://repositorio.udla.cl/handle/udla/2247

DOI

https://doi.org/10.1021/acsomega.5c04457

Citation

Valdés-Muñoz, Elizabeth; Olguín-Orellana, Gabriel J.; Ríos-Rozas, Sofía E.; Alegría-Arcos, Melissa; Morales, Natalia; Rojas-Santander, Vicente; Farías-Abarca, Javier; Palma, Jonathan M.; Hernández-Rodríguez, Erix W.; Suardíaz, Reynier; Bustos, Daniel (2025). Comparative Data Analysis of Virtual Screening Methodologies for Predicting Urease Inhibitory Activity. ACS Omega, 10(42), 49641-49658. https://doi.org/10.1021/acsomega.5c04457

Abstract

Structure-based virtual screening (SBVS) is a fundamental approach in drug discovery, yet its predictive accuracy is highly dependent on methodological choices, scoring functions, and data processing ...

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