Cancer Drug Sensitivity Prediction Based on Deep Transfer Learning.

In recent years, many approved drugs have been discovered using phenotypic screening, which elaborates the exact mechanisms of action or molecular targets of drugs. Drug susceptibility prediction is an important type of phenotypic screening. Large-scale pharmacogenomics studies have provided us with large amounts of drug sensitivity data. By analyzing these data using computational methods, we can effectively build models to predict drug susceptibility. However, due to the differences in data distribution among databases, researchers cannot directly utilize data from multiple sources. In this study, we propose a deep transfer learning model. We integrate the genomic characterization of cancer cell lines with chemical information on compounds, combined with the Encyclopedia of Cancer Cell Lines (CCLE) and the Genomics of Cancer Drug Sensitivity (GDSC) datasets, through a domain-adapted approach and predict the half-maximal inhibitory concentrations (IC50 values). Afterward, the validity of the prediction results of our model is verified. This study effectively addresses the challenge of cross-database distribution discrepancies in drug sensitivity prediction by integrating multi-source heterogeneous data and constructing a deep transfer learning model. This model serves as a reliable computational tool for precision drug development. Its widespread application can facilitate the optimization of therapeutic strategies in personalized medicine while also providing technical support for high-throughput drug screening and the discovery of new drug targets.