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Integrating Single-Cell Foundation Models with Graph Neural Networks for Drug Response Prediction

Published: April 19, 2025 | arXiv ID: 2504.14361v2

By: Till Rossner , Ziteng Li , Jonas Balke and more

Potential Business Impact:

Helps pick the best medicine for sick cells.

Business Areas:
Biopharma Biotechnology, Health Care, Science and Engineering

AI-driven drug response prediction holds great promise for advancing personalized cancer treatment. However, the inherent heterogenity of cancer and high cost of data generation make accurate prediction challenging. In this study, we investigate whether incorporating the pretrained foundation model scGPT can enhance the performance of existing drug response prediction frameworks. Our approach builds on the DeepCDR framework, which encodes drug representations from graph structures and cell representations from multi-omics profiles. We adapt this framework by leveraging scGPT to generate enriched cell representations using its pretrained knowledge to compensate for limited amount of data. We evaluate our modified framework using IC$_{50}$ values on Pearson correlation coefficient (PCC) and a leave-one-drug out validation strategy, comparing it against the original DeepCDR framework and a prior scFoundation-based approach. scGPT not only outperforms previous approaches but also exhibits greater training stability, highlighting the value of leveraging scGPT-derived knowledge in this domain.

Country of Origin
🇩🇪 Germany

Page Count
7 pages

Category
Computer Science:
Machine Learning (CS)