Proposing a Novel Architecture for Drug Response Prediction by
Integrating Multiomics Data and Utilizing Graph Transformers
Abstract
Efficiently predicting drug response remains a challenge in the realm of
drug discovery. By leveraging two types of multiomics data,
transcriptomics, and genomics, we create a comprehensive representation
of target cells and enable drug response prediction for personalized
medicine. To address this issue, we propose four novel model
architectures that combine graph transformers with varying positions of
multiheaded self-attention mechanisms. A majority of our architectures
utilize multiple transformer models, one with a graph attention
mechanism and the other with a multiheaded self-attention mechanism, to
generate latent representations of both the drug and omics data,
respectively. Unlike previous approaches that apply attention only to
one data type, either drug or genomics, our model architectures employ
this technique for both, with a goal to procure more comprehensive
latent representations. The latent representations are then concatenated
and input into a fully connected network to predict the IC-50 score, a
measure of cell drug response. We experiment with all four of these
architectures and extract results from them. The novel model without the
multiheaded self-attention mechanism seems to give us the most accurate
results on our holdout set. Our study greatly contributes to the future
of drug discovery and precision medicine by looking to optimize the time
and accuracy of drug response prediction, as well as using multiomics
data for a personalized approach to the problem.