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Practical Model Selection for Prospective Virtual Screening

[Image: see text] Virtual (computational) high-throughput screening provides a strategy for prioritizing compounds for experimental screens, but the choice of virtual screening algorithm depends on the data set and evaluation strategy. We consider a wide range of ligand-based machine learning and do...

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Detalles Bibliográficos
Autores principales:	Liu, Shengchao, Alnammi, Moayad, Ericksen, Spencer S., Voter, Andrew F., Ananiev, Gene E., Keck, James L., Hoffmann, F. Michael, Wildman, Scott A., Gitter, Anthony
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2018
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6351977/ https://www.ncbi.nlm.nih.gov/pubmed/30500183 http://dx.doi.org/10.1021/acs.jcim.8b00363

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