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MAPViS provides a scalable multimodal framework for joint activity–toxicity modeling and offers a practical computational tool for antibiotic virtual screening and candidate prioritization.
Overall, AbAgMut-GNN is best viewed as a task-oriented computational tool for trend-level mutation ranking and pre-experimental candidate prioritization rather than as a high-precision substitute for quantitative biophysical measurement.
This review elucidates the paradigm shift in drug discovery from serendipitous exploration to rational, structure-driven polypharmacological molecular engineering, thereby providing a clear, structured guide for navigating the complexities of next-generation therapeutics.
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