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Identifying Differences in the Performance of Machine Learning Models for Off-Targets Trained on Publicly Available and Proprietary Data Sets

[Image: see text] Each year, publicly available databases are updated with new compounds from different research institutions. Positive experimental outcomes are more likely to be reported; therefore, they account for a considerable fraction of these entries. Established publicly available databases...

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Detalles Bibliográficos
Autores principales: Smajić, Aljoša, Rami, Iris, Sosnin, Sergey, Ecker, Gerhard F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10445286/
https://www.ncbi.nlm.nih.gov/pubmed/37439496
http://dx.doi.org/10.1021/acs.chemrestox.3c00042

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