# MoGraphDRP: Multi-omics and graph fusion with bilinear attention for predicting drug sensitivity

**Authors:** Zahra Ahmadi, Jamshid Pirgazi, Ali Ghanbari Sorkhi

PMC · DOI: 10.1371/journal.pone.0341458 · 2026-03-06

## TL;DR

This paper introduces MoGraphDRP, a deep learning framework that combines multi-omics data and drug features to accurately predict cancer drug responses.

## Contribution

The novel contribution is a multi-branch deep learning model with bilinear attention for drug sensitivity prediction using multi-omics and drug graph data.

## Key findings

- MoGraphDRP outperforms existing methods with PCC=0.9689, RMSE=0.6622, and R²=0.9388.
- The model effectively distinguishes drug sensitivity and resistance in unknown combinations.
- It accurately reconstructs missing IC50 values and integrates diverse data types.

## Abstract

Accurate prediction of drug response in cancer cells is a fundamental step toward achieving precision medicine and designing personalized therapies. In this study, a multi-branch deep learning framework is proposed that integrates multi-omics cellular data including gene expression, mutation, methylation, and biological pathways with structural features of drugs (molecular graphs and various chemical fingerprints) to enable drug response prediction. The graph structure of the drug is modeled using a three-layer Graph Convolutional Network (GCN), and chemical fingerprints are compressed using MLP networks. These multiple representations of drugs are integrated and then combined with cellular features in a Multi-head Bilinear Attention module to model the complex interactions between cells and drugs. In the final stage, an ensemble model based on XGBoost is used to refine the outputs. The MoGraphDRP model demonstrates significantly higher accuracy in drug response prediction compared to existing state-of-the-art methods. Experimental results show that the MoGraphDRP model outperforms advanced methods such as BANDRP, DeepCDR, and DeepTTA, achieving PCC = 0.9689, RMSE = 0.6622, and R² = 0.9388. This model not only accurately reconstructs missing IC50 values but also effectively distinguishes between sensitive and resistant drugs in unknown combinations. The MoGraphDRP framework can serve as a powerful, interpretable, and reliable tool for analyzing drug response and designing preclinical treatments.

## Linked entities

- **Diseases:** cancer (MONDO:0004992)

## Full-text entities

- **Genes:** HRH2 (histamine receptor H2) [NCBI Gene 3274] {aka H2R, HH2R}
- **Diseases:** Cancer (MESH:D009369), CLL (MESH:D015451), hematological malignancies (MESH:D019337), gastrointestinal conditions (MESH:D005767), death (MESH:D003643)
- **Chemicals:** Cimetidine (MESH:D002927), adenosine (MESH:D000241), Fludarabine (MESH:C024352), GCN (-), hydrogen (MESH:D006859), nucleoside (MESH:D009705)
- **Species:** Homo sapiens (human, species) [taxon 9606]

## Figures

50 figures with captions in the complete paper: https://tomesphere.com/paper/PMC12965611/full.md

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Source: https://tomesphere.com/paper/PMC12965611