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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Bibliographic Details

Published in:	Journal of chemical information and modeling Vol. 65; no. 13; p. 7013
Main Authors:	Schoenmaker, Linde, Sastrokarijo, Enzo G, Heitman, Laura H, Beltman, Joost B, Jespers, Willem, van Westen, Gerard J P
Format:	Journal Article
Language:	English
Published:	United States 14.07.2025
Subjects:	Biological Assay Drug Discovery - methods Humans Ligands Proteins - chemistry Proteins - metabolism
ISSN:	1549-960X, 1549-960X
Online Access:	Get more information
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