ImmunoStruct: Revolutionizing Cancer Immunotherapy with AI-Driven Neoantigen Prediction and Personalized Treatment

January 1, 2026
ImmunoStruct: Revolutionizing Cancer Immunotherapy with AI-Driven Neoantigen Prediction and Personalized Treatment
  • Multimodal data integration yields a robust, nuanced view of epitope presentation and recognition.

  • The framework offers an interpretable, powerful tool for identifying immunogenic epitopes and guiding personalized therapies for infectious diseases and cancer.

  • ImmunoStruct advances multimodal deep learning to predict immunogenicity, integrating diverse data types to forecast immune responses to neoantigens.

  • It sits at the crossroads of immunology, structural biology, and AI, leveraging predicted immunogenic neoantigens to inform cancer immunotherapy strategies.

  • Key data resources include IEDB and CEDAR for epitope data, with the MHC motif atlas providing binding specificities.

  • Efforts are underway to expand peptide–MHC coverage and foster collaboration between computational biologists and immunologists to translate predictions into vaccines and therapies.

  • Validation shows SARS-CoV-2 epitope predictions align with in vitro results, underscoring potential for rapid vaccine development against emerging pathogens.

  • Foundational works span TCR recognition, antigen processing, MHC presentation, and advances in neural networks and protein structure prediction relevant to immunology.

  • Core methods combine AI/ML (graph neural networks, attention, self-supervised learning) with structural biology (peptide–MHC complexes, AlphaFold) and comparative tools (NetMHCpan, MHCnuggets, MHCflurry.

  • Clinical and translational angles are evident through phase trials and immunotherapy approaches like neoantigen vaccines, TCR therapies, and checkpoint blockade combinations.

  • Trained on a large multimodal dataset of over 26,000 peptide–MHC interactions, enabling learning beyond sequence data alone.

  • The model’s cancer applications include predicting survival outcomes from peptide–MHC interactions to help personalize therapies.

Summary based on 2 sources


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