Multi-AOP: a lightweight multi-view deep learning framework for antioxidant peptide discovery
Jianxiu Cai , Xinpo Lou , Chak Fong Chong , Deepa Alex , Joel P. Arrais , Yapeng Wang , Shirley W. I. Siu
Bioresources and Bioprocessing ›› 2026, Vol. 13 ›› Issue (1) : 21
Multi-AOP: a lightweight multi-view deep learning framework for antioxidant peptide discovery
Antioxidant peptides (AOPs), with their strong free radical scavenging ability and health benefits, have emerged as promising candidates for disease prevention and food preservation. However, traditional experimental approaches to AOP discovery remain hindered by inefficiencies and substantial resource demands. Here, we present Multi-AOP, a parameter lightweight multi-view deep learning framework (0.75 million parameters) that enhances AOP discovery through integrated sequence and graph learning. We employ Extended Long Short-Term Memory (xLSTM) to generate sequence embeddings. Concurrently, we transform peptide sequences into SMILES representations and extract molecular graph features using a Message Passing Neural Network (MPNN), capturing intrinsic physicochemical properties. By leveraging both sequence patterns and structural information through hierarchical fusion, Multi-AOP achieves accuracies of 0.8043, 0.9684, and 0.9043 on the AnOxPePred, AnOxPP, and AOPP benchmark datasets, respectively, consistently outperforming conventional machine learning algorithms and state-of-the-art deep learning approaches. Furthermore, we constructed a unified AOP dataset by integrating these benchmark datasets, facilitating the future development of generalizable AOP models. All datasets and the optimized predictive model are publicly accessible at https://github.com/CaiJianxiu/Multi-AOP.
| [1] |
|
| [2] |
|
| [3] |
Beck M, Pöppel K, Spanring M, Auer A, Prudnikova O, Kopp M, Klambauer G, Brandstetter J, Hochreiter S (2024) xlstm: Extended long short-term memory. arXiv preprint arXiv:2405.04517 |
| [4] |
|
| [5] |
|
| [6] |
Choe E, Min DB (2005) Chemistry and reactions of reactive oxygen species in foods. Journal of food science, 70(9):R142–R159 |
| [7] |
|
| [8] |
|
| [9] |
|
| [10] |
Gilmer J, Schoenholz SS, Riley PF, Vinyals O, Dahl GE (2020) Message passing neural networks. In Machine learning meets quantum physics, 199–214. Springer, |
| [11] |
Graves A, Graves A (2012) Long short-term memory. Supervised sequence labelling with recurrent neural networks, 37–45 |
| [12] |
Hamilton W, Ying Z, Leskovec J (2017) Inductive representation learning on large graphs. Advances in neural information processing systems, 30 |
| [13] |
Irina Georgiana Munteanu and Constantin Apetrei (2021) Analytical methods used in determining antioxidant activity: A review. Int J Mol Sci 22(7):3380 |
| [14] |
|
| [15] |
Khezerlou A, pouya Akhlaghi A, Alizadeh AM, Dehghan P, Maleki P, (2022) Alarming impact of the excessive use of tert-butylhydroquinone in food products: A narrative review. Toxicology reports 9:1066–1075 |
| [16] |
|
| [17] |
|
| [18] |
|
| [19] |
Li W, Liu X, Liu Y, Zheng Z (2025) High-accuracy identification and structure–activity analysis of antioxidant peptides via deep learning and quantum chemistry. Journal of Chemical Information and Modeling, |
| [20] |
Lin Z, Akin H, Rao R, Hie B, Zhu Z, Lu W, dos Santos Costa A, Fazel-Zarandi M, Sercu T, Candido S, et al (2022) Language models of protein sequences at the scale of evolution enable accurate structure prediction. BioRxiv, 2022:500902 |
| [21] |
Lundberg SM, Lee S-I (2017) A unified approach to interpreting model predictions. Advances in neural information processing systems, 30 |
| [22] |
|
| [23] |
|
| [24] |
|
| [25] |
|
| [26] |
|
| [27] |
|
| [28] |
Tang S, Li B, Yu H (2024) Chebnet: efficient and stable constructions of deep neural networks with rectified power units via chebyshev approximation. Communications in Mathematics and Statistics, 1–27 |
| [29] |
Tao H, Wang X, Huang S-Y (2025) An interaction-derived graph learning framework for scoring protein–peptide complexes. Nature Machine Intelligence, 1–12 |
| [30] |
Veličković P, Cucurull G, Casanova A, Romero A, Lio P, Bengio Y (2017) Graph attention networks. arXiv preprint arXiv:1710.10903, |
| [31] |
Xu K, Hu W, Leskovec J, Jegelka S (2018) How powerful are graph neural networks? arXiv preprint arXiv:1810.00826 |
| [32] |
Yan K, Lv H, Guo Y, Peng W, Liu B (2023) samppred-gat: prediction of antimicrobial peptide by graph attention network and predicted peptide structure. Bioinformatics, 39(1):btac715 |
| [33] |
|
The Author(s)
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