MLG2Net: Molecular Global Graph Network for Drug Response Prediction in Lung Cancer Cell Lines.

Drug response prediction (DRP) is a central task in the era of precision medicine. Over the past decade, the emergence of deep learning (DL) has greatly contributed to addressing DRP challenges. Notably, the prediction of DRP for cancer cell lines benefits significantly from data availability for mo...

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Publicado en:Journal of Medical Systems Vol. 49; no. 1; pp. 1 - 8
Autores principales: Tran, Thi-Oanh, Nguyen, Thanh-Huy, Nguyen, Tuan Tung, Le, Nguyen Quoc Khanh
Formato: equations & formulas research tables/charts Journal Article
Publicado: Springer Nature 4/10/2025
Acceso en línea:Ver este registro en EBSCOhost
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      dt: 4/10/2025
      vid: 49
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      pub: Springer Nature
      place: New York, New York
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        10.1007/s10916-025-02182-3
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        atl: MLG2Net: Molecular Global Graph Network for Drug Response Prediction in Lung Cancer Cell Lines.
      aug:
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          Tran, Thi-Oanh
          Nguyen, Thanh-Huy
          Nguyen, Tuan Tung
          Le, Nguyen Quoc Khanh
        affil: https://ror.org/05ecec111 Hematology and Blood Transfusion Center, Bach Mai Hospital, Hanoi, Viet Nam
      sug:
        subj:
          Lung Neoplasms Drug Therapy
          Antineoplastic Agents Pharmacodynamics
          Drug Screening Assays, Antitumor Methods
          Prediction Models
          Cell Line, Tumor Drug Effects
          Deep Learning
          Neural Networks (Computer)
          Pharmacogenetics
          Human
          Funding Source
          Lung Neoplasms Familial and Genetic
          Antineoplastic Agents Therapeutic Use
          Treatment Outcomes
          Adenocarcinoma of Lung
          Carcinoma, Squamous Cell
          Precision
          Individualized Medicine
          Pathology, Molecular
      ab: Drug response prediction (DRP) is a central task in the era of precision medicine. Over the past decade, the emergence of deep learning (DL) has greatly contributed to addressing DRP challenges. Notably, the prediction of DRP for cancer cell lines benefits significantly from data availability for model development. However, an effective predictive model is still challenging due to issues with data quality, high-dimensional data, and multi-omics data integration. In this study, we introduce MLG2Net, a deep-learning model inspired by graph neural networks designed to predict DRP in lung cancer cell lines based on pharmacogenomics data. Our model comprises two key components: drug SMILES described by local and global graph networks and cell line genomics are illustrated as a map. Our results show that MLG2Net outperforms three reference graph networks. MLG2Net performance reached a Pearson coefficient correlation ( C C p ) of 0.8616 and a root mean square error (RMSE) of 2.94e-6 in predicting drug responses for Lung Adenocarcinoma (LUAD) cell lines. Subsequent testing on the Lung Squamous Cell Carcinoma (LUSC) dataset reveals lower performance ( C C p : 0.7999, RMSE: 4.08e-6), attributed to the dataset's smaller size influencing model capacity. Moreover, we assessed the model's architecture by isolating its components, with results indicating that the global network is particularly effective in this task. In conclusion, MLG2Net exhibited promising applications in DRP for cancer cell lines, with potential advancements by incorporating larger datasets.
      pubtype: Academic Journal
      doctype:
        equations & formulas
        research
        tables/charts
        Journal Article
      ougenre: Article
    language: English
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