Abraham EP, Chain E. An enzyme from bacteria able to destroy penicillin. Rev Infect Dis. 1940;10(4):677–8.
Brown ED, Wright GD. Antibacterial drug discovery in the resistance era. Nature. 2016;529(7586):336–43.
Article CAS PubMed Google Scholar
Bassetti M, Giacobbe DR. A look at the clinical, economic, and societal impact of antimicrobial resistance in 2020. Expert Opin Pharmacother. 2020;21(17):2067–71.
Article CAS PubMed Google Scholar
Marston HD, Dixon DM, Knisely JM, Palmore TN, Fauci AS. Antimicrobial resistance. JAMA. 2016;316(11):1193–204.
Article CAS PubMed Google Scholar
Naghavi M, Vollset SE, Ikuta KS, et al. Global burden of bacterial antimicrobial resistance 1990–2021: a systematic analysis with forecasts to 2050. Lancet. 2024;404(10459):1199–226.
Bassetti M, Giacobbe DR, Vena A, Brink A. Challenges and research priorities to progress the impact of antimicrobial stewardship. Drugs Context. 2019;8:212600.
Article PubMed PubMed Central Google Scholar
Bassetti M, Larosa B, Vena A, Giacobbe DR. Novel agents in development for the treatment of resistant Gram-negative infections. Expert Rev Anti Infect Ther. 2024;22(11):965–76.
Article CAS PubMed Google Scholar
Dyar OJ, Huttner B, Schouten J, Pulcini C, Esgap. What is antimicrobial stewardship? Clin Microbiol Infect. 2017;23(11):793–8.
Article CAS PubMed Google Scholar
Ji B, Ye W. Prevention and control of hospital-acquired infections with multidrug-resistant organism: a review. Medicine (Baltimore). 2024;103(4):e37018.
Karaiskos I, Galani I, Souli M, Giamarellou H. Novel beta-lactam-beta-lactamase inhibitor combinations: expectations for the treatment of carbapenem-resistant Gram-negative pathogens. Expert Opin Drug Metab Toxicol. 2019;15(2):133–49.
Article CAS PubMed Google Scholar
Di Pilato V, Codda G, Niccolai C, et al. Functional features of KPC-109, a novel 270-loop KPC-3 mutant mediating resistance to avibactam-based beta-lactamase inhibitor combinations and cefiderocol. Int J Antimicrob Agents. 2024;63(1):107030.
Article CAS PubMed Google Scholar
Antonelli A, Coppi M, Bonaiuto C, et al. Novel resistance ICEs carrying the bla(FIM-1) metallo-beta-lactamase gene from an ST235 Pseudomonas aeruginosa sublineage. Antimicrob Agents Chemother. 2024;68(2):e0120523.
Cesaro A, de la Fuente-Nunez C. Antibiotic identified by AI. Nat Chem Biol. 2023;19(11):1296–8.
Article CAS PubMed PubMed Central Google Scholar
Das P, Sercu T, Wadhawan K, et al. Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulations. Nat Biomed Eng. 2021;5(6):613–23.
Article CAS PubMed Google Scholar
Huang J, Xu Y, Xue Y, et al. Identification of potent antimicrobial peptides via a machine-learning pipeline that mines the entire space of peptide sequences. Nat Biomed Eng. 2023;7(6):797–810.
Article CAS PubMed Google Scholar
Maasch J, Torres MDT, Melo MCR, de la Fuente-Nunez C. Molecular de-extinction of ancient antimicrobial peptides enabled by machine learning. Cell Host Microbe. 2023;31(8):1260-74 e6.
Article CAS PubMed PubMed Central Google Scholar
Santos-Junior CD, Torres MDT, Duan Y, et al. Discovery of antimicrobial peptides in the global microbiome with machine learning. Cell. 2024;187(14):3761-78e16.
Article CAS PubMed PubMed Central Google Scholar
Cesaro A, Hoffman SC, Das P, de la Fuente-Nunez C. Challenges and applications of artificial intelligence in infectious diseases and antimicrobial resistance. NPJ Antimicrob Resist. 2025;3(1):2.
Article PubMed PubMed Central Google Scholar
Rehman AU, Li M, Wu B, et al. Role of artificial intelligence in revolutionizing drug discovery. Fundam Res. 2024;5(3):1273–87.
Article PubMed PubMed Central Google Scholar
Ross J, Belgodere B, Chenthamarakshan V, Padhi I, Mroueh Y, Das P. Large-scale chemical language representations capture molecular structure and properties. Nat Mach Intell. 2022;4(12):1256–64.
Wan F, Torres MDT, Peng J, de la Fuente-Nunez C. Deep-learning-enabled antibiotic discovery through molecular de-extinction. Nat Biomed Eng. 2024;8(7):854–71.
Article CAS PubMed PubMed Central Google Scholar
Wong F, Zheng EJ, Valeri JA, et al. Discovery of a structural class of antibiotics with explainable deep learning. Nature. 2024;626(7997):177–85.
Article CAS PubMed Google Scholar
de la Lastra JMP, Wardell SJT, Pal T, de la Fuente-Nunez C, Pletzer D. From data to decisions: leveraging artificial intelligence and machine learning in combating antimicrobial resistance - a comprehensive review. J Med Syst. 2024;48(1):71.
Article PubMed PubMed Central Google Scholar
Hansch C, Maloney PP, Fujita T, Muir RM. Correlation of biological activity of phenoxyacetic acids with Hammett substituent constants and partition coefficients. Nature. 1962;194(4824):178–80.
Torkamannia A, Omidi Y, Ferdousi R. A review of machine learning approaches for drug synergy prediction in cancer. Brief Bioinform. 2022. https://doi.org/10.1093/bib/bbac075.
Ma Y, Guo Z, Xia B, et al. Identification of antimicrobial peptides from the human gut microbiome using deep learning. Nat Biotechnol. 2022;40(6):921–31.
Article CAS PubMed Google Scholar
Liu G, Catacutan DB, Rathod K, et al. Deep learning-guided discovery of an antibiotic targeting Acinetobacter baumannii. Nat Chem Biol. 2023;19(11):1342–50.
Article CAS PubMed Google Scholar
Stokes JM, Yang K, Swanson K, et al. A deep learning approach to antibiotic discovery. Cell. 2020;180(4):688-702 e13.
Article CAS PubMed PubMed Central Google Scholar
Polykovskiy D, Zhebrak A, Sanchez-Lengeling B, et al. Molecular sets (MOSES): a benchmarking platform for molecular generation models. Front Pharmacol. 2020;11:565644.
Article CAS PubMed PubMed Central Google Scholar
Capecchi A, Cai X, Personne H, Kohler T, van Delden C, Reymond JL. Machine learning designs non-hemolytic antimicrobial peptides. Chem Sci. 2021;12(26):9221–32.
Article CAS PubMed PubMed Central Google Scholar
Swanson K, Liu G, Catacutan DB, Arnold A, Zou J, Stokes JM. Generative AI for designing and validating easily synthesizable and structurally novel antibiotics. Nat Mach Intell. 2024;6(3):338–53.
Yoshida M, Hinkley T, Tsuda S, et al. Using evolutionary algorithms and machine learning to explore sequence space for the discovery of antimicrobial peptides. Chem. 2018;4(3):533–43.
Zhou Z, Kearnes S, Li L, Zare RN, Riley P. Optimization of molecules via deep reinforcement learning. Sci Rep. 2019;9(1):10752.
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