Leveraging Cell Painting Images to Expand the Applicability Domain and Actively Improve Deep Learning Quantitative Structure–Activity Relationship Models

[Image: see text] The search for chemical hit material is a lengthy and increasingly expensive drug discovery process. To improve it, ligand-based quantitative structure–activity relationship models have been broadly applied to optimize primary and secondary compound properties. Although these model...

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Detalles Bibliográficos
Autores principales: Herman, Dorota, Kańduła, Maciej M., Freitas, Lorena G. A., van Dongen, Caressa, Le Van, Thanh, Mesens, Natalie, Jaensch, Steffen, Gustin, Emmanuel, Micholt, Liesbeth, Lardeau, Charles-Hugues, Varsakelis, Christos, Reumers, Joke, Zoffmann, Sannah, Will, Yvonne, Peeters, Pieter J., Ceulemans, Hugo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10354798/
https://www.ncbi.nlm.nih.gov/pubmed/37327474
http://dx.doi.org/10.1021/acs.chemrestox.2c00404

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