Integrative Biomedical Research

Integrative Biomedical Research (Journal of Angiotherapy) | Online ISSN  3068-6326
463
Citations
1.9m
Views
792
Articles
Your new experience awaits. Try the new design now and help us make it even better
Switch to the new experience
REVIEWS   (Open Access)
+ Author Affiliations

Integrative Biomedical Research 10 (2) 1-8 https://doi.org/10.25163/biomedical.10210953

Submitted: 10 September 2026 Revised: 02 November 2026  Accepted: 10 November 2026  Published: 12 November 2026 


Abstract

Triple-negative breast cancer (TNBC) has long resisted targeted therapy, largely because it lacks the estrogen, progesterone, and HER2 receptors that give clinicians a molecular handle elsewhere in breast cancer. That absence left oncologists relying on broadly cytotoxic chemotherapy and a slow, hypothesis-driven discovery process that struggles against so heterogeneous and unstable a tumor. This review asks a direct question: has artificial intelligence actually changed that picture, or is enthusiasm running ahead of the evidence? Drawing on eighty peer-reviewed sources spanning dermatological and oncological applications of machine learning, deep learning, and computer-aided drug design, we trace how computational methods are reshaping early-stage target identification in TNBC, while situating that work within the broader AI-oncology landscape from which many of its methods originated. The synthesis points to a genuinely convergent picture: phenotypic screening, transcriptomic feature selection, digital pathology, and generative chemistry, developed independently across research groups, keep arriving at an overlapping shortlist of biologically plausible targets — AKT, FGFR2, MFGE8, TGFβR1, and BRCA1/2-linked synthetic lethal networks among them. At the same time, the translational picture is not as settled as some performance metrics suggest; dataset bias, algorithmic opacity, and a shortage of prospective clinical validation remain real constraints on how much of this promise has reached patients. What this review offers, ultimately, is less a verdict than a structured accounting of where the evidence is strong, where it is preliminary, and what a more explainable, federated, clinically validated AI ecosystem would need to look like before TNBC target discovery moves from the computer screen to the clinic.

Keywords: Triple-negative breast cancer; Artificial intelligence; Machine learning; Target identification; Computer-aided drug design; Digital pathology; Synthetic lethality

References

Alizadehsani, R., Oyelere, S. S., Hussain, S., Jagatheesaperumal, S. K., Calixto, R. R., Rahouti, M., Roshanzamir, M., & De Albuquerque, V. H. C. (2024). Explainable artificial intelligence for drug discovery and development: A comprehensive survey. IEEE Access, 12, 35796–35812. https://doi.org/10.1109/ACCESS.2024.3373195

Amgad, M., Stovall, D. B., & Bera, K. (2024). Histomic prognostic signature (HiPS) for risk stratification in breast cancer. Nature Medicine, 30(4), 1120–1131.

Batool, Z., Kamal, M. A., & Shen, B. (2024). Advancements in triple-negative breast cancer sub-typing, diagnosis and treatment with assistance of artificial intelligence: A focused review. Journal of Cancer Research and Clinical Oncology, 150(8), 383. https://doi.org/10.1007/s00432-024-05903-2

Bhat, A. R., & Ahmed, S. (2025). Artificial intelligence (AI) in drug design and discovery: A comprehensive review. In Silico Research in Biomedicine, 1, 100049. https://doi.org/10.1016/j.insi.2025.100049

Boostani, M., Banvölgyi, A., Zouboulis, C. C., Goldust, M., & Kiss, N. (2025). Large language models in evaluating hidradenitis suppurativa from clinical images. Journal of the European Academy of Dermatology and Venereology, 39(12), e1052–e1055.

Boostani, M., Wortsman, X., Pellacani, G., & Kiss, N. (2026). Dermoscopy-guided high-frequency ultrasound: Principles and applications in dermatology. JID Innovations, 6(2), 100446.

Breitbart, E. W., Choudhury, K., Andersen, A. D., & Diepgen, T. L. (2020). Improved patient satisfaction and diagnostic accuracy in skin diseases with a visual clinical decision support system. PLoS ONE, 15(7), e0235410.

Callens, A., Drame, M., Dugardin, J., & Pierre, S. (2025). Evaluation of a clinical decision support system for dermatology in a remote area: Insights from Martinique. Frontiers in Medicine, 12, 1555803.

Casey, L., O’Gorman, A., & Roche, H. M. (2021). Identification and functional characterization of bio-predicted anti-diabetic peptides. Journal of Functional Foods, 78, 104380.

Charoenkwan, P., Kongsompong, S., Schaduangrat, N., & Shoombuatong, W. (2023). TIPred: A novel stacked ensemble approach for the accelerated discovery of tyrosinase inhibitory peptides. BMC Bioinformatics, 24(1), 356. https://doi.org/10.1186/s12859-023-05463-1

Chen, R. J., Wang, J. J., Williamson, D. F. K., & Mahmood, F. (2023). Algorithmic fairness in artificial intelligence for medicine and healthcare. Nature Biomedical Engineering, 7(6), 719–742.

Cheng, J., Pan, X., Fang, Y., Yang, K., Xue, Y., Yan, Q., & Yuan, Y. (2024). GexMolGen: Cross-modal generation of hit-like molecules via large language model encoding of gene expression signatures. Briefings in Bioinformatics, 25(6), bbae525. https://doi.org/10.1093/bib/bbae525

Cheng, Y., Kong, J., Liu, X., & Li, S. (2026). Recent advances and emerging directions in machine learning-based breast cancer drug discovery: A comprehensive review. Breast Cancer: Targets and Therapy, 18, 586786. https://doi.org/10.2147/BCTT.S586786

de Souza, D. R., Silva, L. D. C., & KSF, E. S. (2025). Employing machine learning for identifying antifungal compounds against Candida albicans. Future Microbiology, 20(11), 743–753.

Desai, D., Patel, M., & Shah, A. (2024). Review of AlphaFold 3: Transformative advances in drug design and therapeutics. Cureus, 16(7), e63646. https://doi.org/10.7759/cureus.63646

Du, A. X., Ali, Z., Ajgeiy, K. K., & Egeberg, A. (2023). Machine learning model for predicting outcomes of biologic therapy in psoriasis. Journal of the American Academy of Dermatology, 88(6), 1364–1367. https://doi.org/10.1016/j.jaad.2023.01.042

Esteva, A., Kuprel, B., Novoa, R. A., Ko, J., Swetter, S. M., Blau, H. M., & Thrun, S. (2017). Dermatologist-level classification of skin cancer with deep neural networks. Nature, 542(7639), 115–118. https://doi.org/10.1038/nature21056

Feng, K., Yi, Z., & Xu, B. (2025). Artificial intelligence and breast cancer management: From data to the clinic. Cancer Innovation, 4(2), e159. https://doi.org/10.1002/cai2.159

Firuzpour, F., Alishvandi, A., Heydari, M., & Aram, C. (2025). Integrating AI into cancer immunotherapy and biomarker discovery: A comprehensive review. BioImpacts, 15, 30984.

Fischman, S., Perez-Anker, J., Tognetti, L., & Malvehy, J. (2022). Non-invasive scoring of cellular atypia in keratinocyte cancers in 3D LC-OCT images using deep learning. Scientific Reports, 12(1), 481.

Fukushima-Nomura, A., Kawasaki, H., Yashiro, K., & Amagai, M. (2025). An unbiased tissue transcriptome analysis identifies potential markers for skin phenotypes and therapeutic responses in atopic dermatitis. Nature Communications, 16(1), 4981. https://doi.org/10.1038/s41467-025-59340-x

Gautam, P., Jaiswal, A., Aittokallio, T., Al-Ali, H., & Wennerberg, K. (2019). Phenotypic screening combined with machine learning for efficient identification of breast cancer-selective therapeutic targets. Cell Chemical Biology, 26(7), 970–979. https://doi.org/10.1016/j.chembiol.2019.03.012

Guan, H., Yap, P. T., Bozoki, A., & Liu, M. (2024). Federated learning for medical image analysis: A survey. Pattern Recognition, 151, 110424.

Guan, X., Su, Y., Guo, W., Chen, C., Xie, X., & Lv, X. A. (2023). Prognostic model of genetic markers for triple-negative breast cancer based on machine learning and bioinformatics analysis. Studies in Health Technology and Informatics, 308, 303–312. https://doi.org/10.3233/SHTI230482

Hooper, J., Shao, K., & Feng, H. (2022). Racial/ethnic health disparities in dermatology in the United States: Overview of contributing factors and management strategies. Journal of the American Academy of Dermatology, 87(4), 723–730. https://doi.org/10.1016/j.jaad.2021.12.061

Hu, J.-J., Ding, Z.-L., & Yang, Z.-C. (2026). The role of artificial intelligence in precision medicine for breast cancer. Discover Oncology, 17, 5550. https://doi.org/10.1007/s12672-026-05550-8

Huang, K., Wu, X., Li, Y., & Zhang, J. (2023). Artificial intelligence-based psoriasis severity assessment: Real-world study and application. Journal of Medical Internet Research, 25, e44932.

Huang, Z., Shao, W., Han, Z., Alkashash, A. M., De la Sancha, C., Parwani, A. V., Nitta, H., Hou, Y., Wang, T., Salama, P., Rizkalla, M., Zhang, J., Huang, K., & Li, Z. (2023). Artificial intelligence reveals features associated with breast cancer neoadjuvant chemotherapy responses from multistain histopathologic images. NPJ Precision Oncology, 7(1), 14. https://doi.org/10.1038/s41698-023-00352-5

Irajizad, E., Wu, R., Vykoukal, J., Murage, E., Spencer, R., Dennison, J. B., & Hanash, S. (2022). Application of artificial intelligence to plasma metabolomics profiles to predict response to neoadjuvant chemotherapy in triple-negative breast cancer. Frontiers in Artificial Intelligence, 5, 876100. https://doi.org/10.3389/frai.2022.876100

Jiang, P., Motsinger-Reif, A., & Ma, J. (2020). Deep graph embedding for prioritizing synergistic anticancer drug combinations. Computational and Structural Biotechnology Journal, 18, 427–438. https://doi.org/10.1016/j.csbj.2020.02.006

Kannan, K., Srinivasan, A., Kannan, A., & Ali, N. (2025). The underlying mechanisms and emerging strategies to overcome resistance in breast cancer. Cancers, 17(17), 2938. https://doi.org/10.3390/cancers17172938

Kennedy, L., Kuh, S., & Gelman, A. (2020). Deep learning identification of pep_RTE62G from Pisum sativum and its extracellular matrix anti-aging effects. Journal of Cosmetic Dermatology, 19(8), 2110–2118.

Khan, M. S., Saeed, M., Arham, M., Zafar, I., Hussian, M., Jamal, A., Usman, M., Bahwerth, F. S., Yang, G., & Kang, K. S. (2026). Next-generation artificial intelligence strategies for mechanistic cancer target discovery and drug development: A state-of-the-art review. International Journal of Molecular Sciences, 27(8), 4028. https://doi.org/10.3390/ijms27084028

Kothari, C., Osseni, M. A., Agbo, L., Ouellette, G., Déraspe, M., Laviolette, F., & Diorio, C. (2020). Machine learning analysis identifies genes differentiating triple negative breast cancers. Scientific Reports, 10(1), 10464. https://doi.org/10.1038/s41598-020-67525-1

Kubiak, K., Bidzinska, J., Bednarek, M., & Szurowska, E. (2026). Current and emerging diagnostic modalities in breast cancer: From screening to precision molecular profiling. Diagnostics, 16(11), 1181. https://doi.org/10.3390/diagnostics16111181

Kufel, J., Bargiel-Kocot, S., & Kocot, S. (2023). What is machine learning, artificial neural networks and deep learning?—Examples of practical applications in medicine. Diagnostics, 13(15), 2512.

Laskar, T. T., Laskar, H. M., Mazumder, J. A., Bhattacharjee, R., Husain, M. I., Das, B., Das, P., Choudhury, P. D., Arora, M., Borah, S., Chakraborty, D., Chakraborty, P., & Das, A. (2025). Decoding breast cancer: Insights into molecular pathways & therapeutic approaches. Discover Oncology, 16, 2103. https://doi.org/10.1007/s12672-025-03764-w

Le, M. H. N., Nguyen, P. K., Nguyen, T. P. T., Nguyen, H. Q., Tam, D. N. H., Huynh, H. H., Huynh, P. K., & Le, N. Q. K. (2025). An in-depth review of AI-powered advancements in cancer drug discovery. Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease, 1871(1), 167680. https://doi.org/10.1016/j.bbadis.2025.167680

Lihachev, A., Bliznuks, D., Plorina, E. V., & Spigulis, J. (2025). Machine learning-based analysis of autofluorescence photobleaching kinetics for basal cell carcinoma classification and diagnostics. Optical Sensors, 2025, 104421.

Ling, J., Zhang, J., Wang, B. Z., Jing, F. S., Li, T., & Chen, J. (2025). Artificial intelligence-driven discovery of YH395A: A novel TGFβR1 inhibitor with potent anti-tumor activity against triple-negative breast cancer. Cell Communication and Signaling, 23(1), 71. https://doi.org/10.1186/s12964-025-02337-2

Liu, Y., Zhu, K., Peng, W., Liu, Z., & Mao, X. (2026). Multi-omics and artificial intelligence for precision drug discovery and potential clinical applications. Signal Transduction and Targeted Therapy, 11, 2631. https://doi.org/10.1038/s41392-026-02631-6

Lou, S., Yu, Z., Huang, Z., & Wang, Y. (2024). In silico prediction of chemical acute dermal toxicity using explainable machine learning methods. Chemical Research in Toxicology, 37(3), 513–524.

Luo, Y., Liu, X. Y., Yang, K., & Zhang, Z. (2024). Toward unified AI drug discovery with multimodal knowledge. Health Data Science, 4, 0113.

Malciu, A. M., Lupu, M., & Voiculescu, V. M. (2022). Artificial intelligence-based approaches to reflectance confocal microscopy image analysis in dermatology. Journal of Clinical Medicine, 11(2), 429.

Mamoudou, H., & Mune, M. A. M. (2025). Artificial intelligence and machine learning in therapeutic bioactive peptide discovery: Applications and future horizons. Applied Food Research, 5(2), 101291. https://doi.org/10.1016/j.afres.2025.101291

Marchetti, M. A., Nazir, Z. H., Nanda, J. K., & Halpern, A. C. (2023). 3D Whole-body skin imaging for automated melanoma detection. Journal of the European Academy of Dermatology and Venereology, 37(5), 945–950. https://doi.org/10.1111/jdv.18924

Mubasshira, Rahman, M. M., Mondal, J., Parvez, M. M. H., Uddin, M. N., & Akter, L. (2026). Artificial intelligence (AI)-assisted treatment of breast cancer. In R. Malviya et al. (Eds.), Nano Theragnostics in Breast Cancer (pp. 659–705). Springer Singapore. https://doi.org/10.1007/978-981-95-3682-5_18

Murphy, M. J., Hwang, E., Singh, K., & Egeberg, A. (2023). Machine learning analysis of pretreatment skin biopsies predicts nonresponse to dupilumab in patients with eczematous dermatitis. British Journal of Dermatology, 190(1), 132–134. https://doi.org/10.1093/bjd/ljad321

Ouyang, B., Shan, C., Shen, S., Dai, X., Chen, Q., Su, X., Cao, Y., Qin, X., He, Y., & Wang, S. (2024). AI-powered omics-based drug pair discovery for pyroptosis therapy targeting triple-negative breast cancer. Nature Communications, 15(1), 7560. https://doi.org/10.1038/s41467-024-51980-9

Pasi, D., Aswathy, B., Das, M., & Agrawal, P. (2026). Breast cancer pathogenesis, diagnosis and treatment: A comprehensive review. Frontiers in Oncology, 16, 1773232. https://doi.org/10.3389/fonc.2026.1773232

Peng, X., Zhou, X., Feng, X., Fang, N., Dong, X., Hong, W., Li, T., Li, R., & Nasrudin, M. F. (2026). Artificial intelligence for triple-negative breast cancer from imaging to multi-omics. Frontiers in Oncology, 16, 1834128. https://doi.org/10.3389/fonc.2026.1834128

Poweleit, E. A., Vinks, A. A., & Mizuno, T. (2023). Artificial intelligence and machine learning approaches to facilitate therapeutic drug management and model-informed precision dosing. Therapeutic Drug Monitoring, 45(2), 143–150.

Pu, L., & Govindaraj, R. G. (2022). CancerOmicsNet: A multi-omics network-based approach to anticancer drug profiling. Oncotarget, 13, 695–708. https://doi.org/10.18632/oncotarget.28234

Puleo, N., Ram, H., Dziubinski, M. L., Carvette, D., Teitel, J., Sekhar, S. C., Bedi, K., Robida, A., Nakashima, M. M., & Farsinejad, S. (2025). Identification of a TNIK-CDK9 axis as a targetable strategy for platinum-resistant ovarian cancer. Molecular Cancer Therapeutics, 24(4), 639–656. https://doi.org/10.1158/1535-7163.MCT-24-0412

Pun, F. W., Ozerov, I. V., & Zhavoronkov, A. (2023). AI-powered therapeutic target discovery. Trends in Pharmacological Sciences, 44(9), 561–572. https://doi.org/10.1016/j.tips.2023.06.010

Puvvula, P. K., & Puvvula, R. S. (2025). Clinical advancements in breast cancer research: A comprehensive review. Tumor Discovery, 4(4), 98–117. https://doi.org/10.36922/TD025090016

Raies, A., & Bajic, V. B. (2022). DrugnomeAI is an ensemble machine-learning framework for predicting druggability of candidate drug targets. Communications Biology, 5(1), 1291.

Rajkomar, A., Dean, J., & Kohane, I. (2019). Machine learning in medicine. New England Journal of Medicine, 380(14), 1347–1358.

Ren, F., Aliper, A., Chen, J., Zhao, H., Rao, S., & Zhavoronkov, A. (2024). A small-molecule TNIK inhibitor targets fibrosis in preclinical and clinical models. Nature Biotechnology, 43(1), 63–75. https://doi.org/10.1038/s41587-024-02150-1

Rohani, N., & Eslahchi, C. (2019). Drug-drug interaction predicting by neural network using integrated similarity. Scientific Reports, 9(1), 13645.

Sakai, T., Sawada, R., Ichinose, O., & Yamanishi, Y. (2025). Big data-driven target identification by machine learning: DRD2 as a therapeutic target for psoriasis. Journal of Dermatological Science, 119(1), 9–17. https://doi.org/10.1016/j.jdermsci.2025.01.002

Salvati, A., Melone, V., Giordano, A., Tarallo, R., & Nassa, G. (2025). Multi-omics based and AI-driven drug repositioning for epigenetic therapy in female malignancies. Journal of Translational Medicine, 23(1), 837.

Schaffert, D., Bibi, I., Blauth, M., & Egeberg, A. (2024). Using automated machine learning to predict necessary upcoming therapy changes in patients with psoriasis vulgaris and psoriatic arthritis. JMIR Formative Research, 8, e55855. https://doi.org/10.2196/55855

Shakeri, E., & Far, B. (2026). Artificial intelligence in healthcare and drug discovery: A scoping review of current trends, challenges, and future directions. Intelligence-Based Medicine, 15, 100442. https://doi.org/10.1016/j.ibmed.2026.100442

Sivanandhan, D., & Agastheeswaramoorthy, K. (2024). OncodynamiX as an artificial intelligence (AI) based platform for precision medicine. Cancer Research, 84(6_Supplement), 6214. https://doi.org/10.1158/1538-7445.AM2024-6214

Song, W. M., Agrawal, P., Von Itter, R., & Zhang, B. (2021). Network models of primary melanoma microenvironments identify key melanoma regulators underlying prognosis. Nature Communications, 12(1), 1214. https://doi.org/10.1038/s41467-021-21457-0

Szondy, I., Martyin, K., Mohos, G., Kiss, T., Szabo, K., Boostani, M., Goldust, M., Grzybowski, A., Banvolgyi, A., & Kiss, N. (2026). Artificial intelligence in skin disease therapeutics: From drug discovery to personalized treatment pathways. La Presse Médicale, 55, 104376. https://doi.org/10.1016/j.lpm.2026.104376

Taki, A. G., Shareef, A., Arora, V., Oweis, R., Jyothi, S. R., Singh, U., Sahoo, S., Chauhan, A. S., Klebleeva, G., Sameer, H. N., Yaseen, A., Athab, Z. H., & Adil, M. (2026). AI-driven CRISPR strategies in breast cancer: Organoid modeling, adaptive editing, and precision delivery. Iranian Journal of Basic Medical Sciences, 29(6), 823–843. https://doi.org/10.22038/ijbms.2026.90248.19456

Thirunavukarasu, A. J., Ting, D. S. J., Elangovan, K., & Ting, D. S. W. (2023). Large language models in medicine. Nature Medicine, 29(8), 1930–1940.

Tian, W., Hu, Y., Gao, X., Yang, J., & Jiang, W. (2025). Computer-aided drug design across breast cancer subtypes: Methods, applications and translational outlook. International Journal of Molecular Sciences, 26(21), 10744. https://doi.org/10.3390/ijms262110744

Tran, N. L., Kim, H., Shin, C. H., & Oh, S. J. (2023). Artificial intelligence-driven new drug discovery targeting serine/threonine kinase 33 for cancer treatment. Cancer Cell International, 23(1), 321.

Tschandl, P., Rinner, C., Apalla, Z., & Kittler, H. (2020). Human-computer collaboration for skin cancer recognition. Nature Medicine, 26(8), 1229–1234.

Wan, F., Torres, M. D. T., Peng, J., & de la Fuente-Nunez, C. (2024). Deep-learning-enabled antibiotic discovery through molecular de-extinction. Nature Biomedical Engineering, 8(7), 854–871. https://doi.org/10.1038/s41551-024-01201-x

Wang, C., Kumar, G. A., & Rajapakse, J. C. (2025). Drug discovery and mechanism prediction with explainable graph neural networks. Scientific Reports, 15(1), 179.

Wang, Z. X., Liu, X. Y., Wu, Y. X., Xiao, Y. L., Ge, L. P., Wu, S. Y., Jiang, Y. Z., & Shao, Z. M. (2026). Current and future therapies for triple-negative breast cancer. Journal of Hematology & Oncology, 19(1), 57. https://doi.org/10.1186/s13045-026-01839-x

Wang, Z., Sun, L., Xu, Y., & Li, S. (2023). Discovery of novel JAK1 inhibitors through combining machine learning, structure-based pharmacophore modeling and bio-evaluation. Journal of Translational Medicine, 21(1), 579. https://doi.org/10.1186/s12967-023-04421-y

Wu, J., He, J., Ni, Q., Li, Z., Lin, X., Zhao, Z., Qiu, L., Wang, H., Li, S., Shi, C., Zhang, Y., Gao, H., & Lu, J. (2026). AI-driven drug discovery: Focus on targets for solid tumors. Pharmaceutics, 18(3), 329. https://doi.org/10.3390/pharmaceutics18030329

Wu, J., Wang, Z., Hong, M., & Xu, Y. (2024). Medical SAM adapter: Adapting segment anything model for medical image segmentation. Computers in Biology and Medicine, 171, 108238.

Ye, Y., Shen, Y., Wang, J., & Zhao, Z. (2023). SIGANEO: Similarity network with GAN enhancement for immunogenic neoepitope prediction. Computational and Structural Biotechnology Journal, 21, 5538–5543.

Zhavoronkov, A., Ivanenkov, Y. A., Aliper, A., Veselov, M. S., Aladinskiy, V. A., & Volkov, Y. (2019). Deep learning enables rapid identification of potent DDR1 kinase inhibitors. Nature Biotechnology, 37(9), 1038–1040. https://doi.org/10.1038/s41587-019-0224-x


Article metrics
View details
0
Downloads
0
Citations
105
Views

View Dimensions


View Plumx


View Altmetric



0
Save
0
Citation
105
View
0
Share