Toward Assay-Aware Bioactivity Model(er)s: Getting a Grip on Biological Context

Protein-ligand interaction prediction with proteochemometric (PCM) models can provide valuable insights during early drug discovery and chemical safety assessment. These models have benefitted from the large amount of data available in bioactivity databases. However, an issue that is often overlooke...

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Vydané v:	Journal of chemical information and modeling Ročník 65; číslo 13; s. 7013
Hlavní autori:	Schoenmaker, Linde, Sastrokarijo, Enzo G, Heitman, Laura H, Beltman, Joost B, Jespers, Willem, van Westen, Gerard J P
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	United States 14.07.2025
Predmet:	Biological Assay Drug Discovery - methods Humans Ligands Proteins - chemistry Proteins - metabolism
ISSN:	1549-960X, 1549-960X
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