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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.
Results indicate that FragSyn, through the synergistic design of fragment-level representation and cellular context awareness, provides an effective and interpretable new approach to synergistic drug combination prediction.
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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