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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...

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Autori principali: Zakharov, Alexey V., Peach, Megan L., Sitzmann, Markus, Nicklaus, Marc C.
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Chemical Society 2014
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3985743/
https://ncbi.nlm.nih.gov/pubmed/24524735
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci400737s
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