Calculation of exact Shapley values for support vector machines with Tanimoto kernel enables model interpretation

Summary: The support vector machine (SVM) algorithm is popular in chemistry and drug discovery. SVM models have black box character. Their predictions can be interpreted through feature weighting or the model-agnostic Shapley additive explanations (SHAP) formalism that locally approximates Shapley v...

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Bibliographic Details
Main Authors: Christian Feldmann, Jürgen Bajorath
Format: Article
Language:English
Published: Elsevier 2022-09-01
Series:iScience
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2589004222012950