Bioorganic chemistryAnti-Bacterial AgentsMicrobial Sensitivity TestsQuaternary Ammonium CompoundsNeural NetworksComputer
Tackling the challenge of ML-assisted antibacterial activity prediction: One step closer to controlled quaternary ammonium compounds design via neural networks model.
Egor A Ilin, Nikita A Frolov, Mary A Seferyan, Anvar B Valeev, Andrey D Vinokurov, Elena V Detusheva, Elizabeth Son, Michael G Medvedev, Anatoly N Vereshchagin
Published: 202510.1016/j.bioorg.2025.109175
Abstract
The ongoing rise of resistant bacterial pathogens poses a significant threat to current antibacterials' effectiveness putting millions of people's lives at risk. However, modern machine learning (ML) tools promise to tip the scales in the never-endin…
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