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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Bibliographische Detailangaben

Veröffentlicht in:	Journal of chemical information and modeling Jg. 65; H. 13; S. 7013
Hauptverfasser:	Schoenmaker, Linde, Sastrokarijo, Enzo G, Heitman, Laura H, Beltman, Joost B, Jespers, Willem, van Westen, Gerard J P
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	United States 14.07.2025
Schlagworte:	Biological Assay Drug Discovery - methods Humans Ligands Proteins - chemistry Proteins - metabolism
ISSN:	1549-960X, 1549-960X
Online-Zugang:	Weitere Angaben
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