Explainable AI for end-to-end pathogen target discovery and molecular design
Lucía Jiménez Castro, Dolores Fernández‐Ortuño, Alejandro Pérez‐García, Álvaro Polonio
APEX identifies pathogen targets and designs inhibitors using explainable AI, highlighting key residues and guiding molecular design.
bioRxiv · May 15, 2026 · PreprintBioinformatics