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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Public Library of Science
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5383296/ https://www.ncbi.nlm.nih.gov/pubmed/28384344 http://dx.doi.org/10.1371/journal.pone.0175410 |