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nyards for immediate reuse. Occupational health practitioners and hospitals should consider assessing the feasibility of adopting this method in their settings to aid in breaking the chain of transmission of nosocomial pathogens via contaminated lanyards.In this work we demonstrated, that machine learning opens a way for real design of ligands with required metal ion selectivity. We performed the ensemble QSPR modelling of the Li+/Na+ complexation selectivity and the stability constants for the Li+L and Na+L complexes of phosphoryl podan