Meriç Kınalı, Leveraging The Human Kinome for Anticancer Agent Cytotoxicity Potency Prediction
In this study, we presented a regression model, which was applied on cytotoxic bioactivity data obtained from HCC cells (from CanSyL dataset). Our objective was to predict off-target effects as potential new targets by regularizing the regression space based on the kinome tree topology. Our model was tested on the CanSyL dataset by applying LOOCV and achieved promising predictions. Then we scaled up our approach to the public datasets (CCLE and GDSC). Some kinase inhibitors were identified as outliers based on their individual RMSE. This difference suggests that outlier inhibitors are more specific inhibitors while non-outlier inhibitors are mostly multi-kinase inhibitors.
Date: 06.09.2019 / 10:00 Place: A-108










