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

arXiv 2504.14361 ↗First posted 19 Apr 2025cs.LG cs.CL q-bio.QMcited by 0

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Abstract (arXiv)

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 IC50 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.

Key facts. No citing papers in the map yet (data through 14 Oct 2026). Builds on 2 of its 12 references that are in the map. First posted on arXiv 19 Apr 2025.

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References · 2

  1. 2021Large-Scale Chemical Language Representations Capture Molecular Structure and Propertiescited by 206
  2. 2022Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Modelcited by 25

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