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Tuning gradient boosting for imbalanced bioassay modelling with custom loss functions

While in the last years there has been a dramatic increase in the number of available bioassay datasets, many of them suffer from extremely imbalanced distribution between active and inactive compounds. Thus, there is an urgent need for novel approaches to tackle class imbalance in drug discovery. I...

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Detalles Bibliográficos
Autores principales: Boldini, Davide, Friedrich, Lukas, Kuhn, Daniel, Sieber, Stephan A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9650867/
https://www.ncbi.nlm.nih.gov/pubmed/36357942
http://dx.doi.org/10.1186/s13321-022-00657-w