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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Autors principals:	Conrad Stork, Neann Mathai, Johannes Kirchmair
Format:	Artigo
Idioma:	Inglês
Publicat:	Elsevier 2021-12-01
Col·lecció:	Artificial Intelligence in the Life Sciences
Matèries:	Machine learning Frequent hitters Nuisance compounds PAINS Biological assays High-throughput screening
Accés en línia:	http://www.sciencedirect.com/science/article/pii/S2667318521000076
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