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Quantifying Overfitting Potential in Drug Binding Datasets

In this paper, we investigate potential biases in datasets used to make drug binding predictions using machine learning. We investigate a recently published metric called the Asymmetric Validation Embedding (AVE) bias which is used to quantify this bias and detect overfitting. We compare it to a sli...

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Detalles Bibliográficos
Autores principales: Davis, Brian, Mcloughlin, Kevin, Allen, Jonathan, Ellingson, Sally R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7304006/
http://dx.doi.org/10.1007/978-3-030-50420-5_44