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QSAR Modeling of Imbalanced High-Throughput Screening Data in PubChem
[Image: see text] Many of the structures in PubChem are annotated with activities determined in high-throughput screening (HTS) assays. Because of the nature of these assays, the activity data are typically strongly imbalanced, with a small number of active compounds contrasting with a very large nu...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3985743/ https://www.ncbi.nlm.nih.gov/pubmed/24524735 http://dx.doi.org/10.1021/ci400737s |