A Multi-View Learning-Based Bayesian Ruleset Extraction Algorithm For Accurate Hepatotoxicity Prediction

The interpretable machine learning method is important in drug discovery. Unlike traditional ensemble learning methods, this paper proposes an interpretable algorithm based on Bayesian rule extraction to obtain reliable and explainable results for hepatotoxicity prediction. To extract information from different types of omics data, our algorithm employs a multi-view learning strategy to enhance performance. Specifically, a random forest is trained in each view, and then the Bayesian rule extraction algorithm is designed to select an optimal rule subset, controlling the size and accuracy of the ruleset through probabilities. These rule sets are integrated through multi-view voting to get the final decisions. The performance of our algorithm is tested on the hepatotoxicity dataset, demonstrating that compared to traditional machine learning algorithms and rule-based algorithms, our approach maintains excellent performance while achieving high interpretability in most cases. Our python source code and the related Supplementary Materials are available at: github.com/MLDMXM2017/MV-BRS.