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The influence of the negative-positive ratio and screening database size on the performance of machine learning-based virtual screening

The machine learning-based virtual screening of molecular databases is a commonly used approach to identify hits. However, many aspects associated with training predictive models can influence the final performance and, consequently, the number of hits found. Thus, we performed a systematic study of...

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Detalhes bibliográficos
Publicado no:PLoS One
Main Authors: Kurczab, Rafał, Bojarski, Andrzej J.
Formato: Artigo
Idioma:Inglês
Publicado em: Public Library of Science 2017
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5383296/
https://ncbi.nlm.nih.gov/pubmed/28384344
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0175410
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