Calculation of exact Shapley values for explaining support vector machine models using the radial basis function kernel

Abstract Machine learning (ML) algorithms are extensively used in pharmaceutical research. Most ML models have black-box character, thus preventing the interpretation of predictions. However, rationalizing model decisions is of critical importance if predictions should aid in experimental design. Ac...

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Bibliographic Details
Main Authors: Andrea Mastropietro, Christian Feldmann, Jürgen Bajorath
Format: Article
Language:English
Published: Nature Portfolio 2023-11-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-023-46930-2