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Computational prediction of frequent hitters in target-based and cell-based assays

Compounds interfering with high-throughput screening (HTS) assay technologies (also known as “badly behaving compounds”, “bad actors”, “nuisance compounds” or “PAINS”) pose a major challenge to early-stage drug discovery. Many of these problematic compounds are “frequent hitters”, and we have recent...

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Principais autores: Conrad Stork, Neann Mathai, Johannes Kirchmair
Format: Artigo
Sprog:Inglês
Udgivet: Elsevier 2021-12-01
Serier:Artificial Intelligence in the Life Sciences
Fag:
Machine learning
Frequent hitters
Nuisance compounds
PAINS
Biological assays
High-throughput screening
Online adgang:http://www.sciencedirect.com/science/article/pii/S2667318521000076
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