Federated Learning for Predicting Compound Mechanism of Action Based on Image-data from Cell Painting

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Published: 2024-05-01

Formatted citation

Ju L, Hellander A, and Spjuth O.. Federated Learning for Predicting Compound Mechanism of Action Based on Image-data from Cell Painting.
Artificial Intelligence in Life Sciences. 5, 100098 (2024). DOI: 10.1016/j.ailsci.2024.100098

Abstract

Having access to sufficient data is essential in order to train accurate machine learning models, but much data is not publicly available. In drug discovery this is particularly evident, as much data is withheld at pharmaceutical companies for various reasons. Federated Learning (FL) aims at training a joint model between multiple parties but without disclosing data between the parties. In this work, we leverage Federated Learning to predict compound Mechanism of Action (MoA) using fluorescence image data from cell painting. Our study evaluates the effectiveness and efficiency of FL, comparing to non-collaborative and data-sharing collaborative learning in diverse scenarios. Specifically, we investigate the impact of data heterogeneity across participants on MoA prediction, an essential concern in real-life applications of FL, and demonstrate the benefits for all involved parties. This work highlights the potential of federated learning in multi-institutional collaborative machine learning for drug discovery and assessment of chemicals, offering a promising avenue to overcome data-sharing constraints.