TY - JOUR
T1 - An in-depth review of AI-powered advancements in cancer drug discovery
AU - Le, Minh Huu Nhat
AU - Nguyen, Phat Ky
AU - Nguyen, Thi Phuong Trang
AU - Nguyen, Hien Quang
AU - Tam, Dao Ngoc Hien
AU - Huynh, Han Hong
AU - Huynh, Phat Kim
AU - Le, Nguyen Quoc Khanh
N1 - Publisher Copyright:
© 2025 Elsevier B.V.
PY - 2025/3
Y1 - 2025/3
N2 - The convergence of artificial intelligence (AI) and genomics is redefining cancer drug discovery by facilitating the development of personalized and effective therapies. This review examines the transformative role of AI technologies, including deep learning and advanced data analytics, in accelerating key stages of the drug discovery process: target identification, drug design, clinical trial optimization, and drug response prediction. Cutting-edge tools such as DrugnomeAI and PandaOmics have made substantial contributions to therapeutic target identification, while AI's predictive capabilities are driving personalized treatment strategies. Additionally, advancements like AlphaFold highlight AI's capacity to address intricate challenges in drug development. However, the field faces significant challenges, including the management of large-scale genomic datasets and ethical concerns surrounding AI deployment in healthcare. This review underscores the promise of data-centric AI approaches and emphasizes the necessity of continued innovation and interdisciplinary collaboration. Together, AI and genomics are charting a path toward more precise, efficient, and transformative cancer therapeutics.
AB - The convergence of artificial intelligence (AI) and genomics is redefining cancer drug discovery by facilitating the development of personalized and effective therapies. This review examines the transformative role of AI technologies, including deep learning and advanced data analytics, in accelerating key stages of the drug discovery process: target identification, drug design, clinical trial optimization, and drug response prediction. Cutting-edge tools such as DrugnomeAI and PandaOmics have made substantial contributions to therapeutic target identification, while AI's predictive capabilities are driving personalized treatment strategies. Additionally, advancements like AlphaFold highlight AI's capacity to address intricate challenges in drug development. However, the field faces significant challenges, including the management of large-scale genomic datasets and ethical concerns surrounding AI deployment in healthcare. This review underscores the promise of data-centric AI approaches and emphasizes the necessity of continued innovation and interdisciplinary collaboration. Together, AI and genomics are charting a path toward more precise, efficient, and transformative cancer therapeutics.
KW - AI-driven drug discovery
KW - Bioinformatics
KW - cancer genomics
KW - cancer therapeutics
KW - Computational drug design
KW - Precision oncology
UR - http://www.scopus.com/inward/record.url?scp=85215548178&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85215548178&partnerID=8YFLogxK
U2 - 10.1016/j.bbadis.2025.167680
DO - 10.1016/j.bbadis.2025.167680
M3 - Article
AN - SCOPUS:85215548178
SN - 0925-4439
VL - 1871
JO - Biochimica et Biophysica Acta - Molecular Basis of Disease
JF - Biochimica et Biophysica Acta - Molecular Basis of Disease
IS - 3
M1 - 167680
ER -