article · Journal of Computer-Aided Molecular Design

Machine learning-guided drug repurposing for EGFR inhibition using scaffold-split validation, docking, and molecular dynamics

Precious A. Akinnusi
Gladys D. Egunjobi
Ayomide Akinnusi
Fayowole Ogunbiyi
Tomilola Oluwadare
Sidiqat A. Shodehinde

2026Ladoke Akintola University of Technology

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Research topics

Advanced Breast Cancer Therapies
Lung Cancer Treatments and Mutations
Lung Cancer Research Studies

Sustainable Development Goals

Good Health and Well-being

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DOI: 10.1007/s10822-026-00853-y

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