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Identifying Structure-Activity Relationships for Cyanine-Derived Antibiotics Using Machine Learning and Commercial Large Language Models

Alex Lathem, Angela Medvedeva, Ana Luisa L. Mendes dos Santos, Bowen Li, Tengda Si, Anatoly B. Kolomeisky, James M. Tour. Identifying Structure-Activity Relationships for Cyanine-Derived Antibiotics Using Machine Learning and Commercial Large Language Models. Journal of Chemical Information and Computer Sciences, 65(22):12205-12220, 2025. [doi]

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