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Antimicrobial resistance is an emerging global health crisis that is undermining advances in modern medicine and, if unmitigated, threatens to kill 10 million people per year worldwide by 2050. Research over the last decade has demonstrated…

Quantitative Methods · Quantitative Biology 2020-09-24 K. Farquhar , H. Flohr , D. A. Charlebois

Antimicrobial resistance (AMR) is a risk for patients and a burden for the healthcare system. However, AMR assays typically take several days. This study develops predictive models for AMR based on easily available clinical and…

Antimicrobial peptides are a class of small, usually positively charged amphiphilic peptides that are used by the innate immune system to combat bacterial infection in multicellular eukaryotes. Antimicrobial peptides are known for their…

Biomolecules · Quantitative Biology 2015-06-12 Natalia P. Rodina , Anna N. Yudenko , Ivan N. Terterov , Igor E. Eliseev

The binding affinity between the T-cell receptors (TCRs) and antigenic peptides mainly determines immunological recognition. It is not a trivial task that T cells identify the digital sequences of peptide amino acids by simply relying on…

Cell Behavior · Quantitative Biology 2024-02-14 Jin Xu , Junghyo Jo

Antimicrobial peptides (AMPs) have exhibited unprecedented potential as biomaterials in combating multidrug-resistant bacteria. Despite the increasing adoption of artificial intelligence for novel AMP design, challenges pertaining to…

Quantitative Methods · Quantitative Biology 2024-05-03 Li Wang , Yiping Li , Xiangzheng Fu , Xiucai Ye , Junfeng Shi , Gary G. Yen , Xiangxiang Zeng

Infectious diseases continue to pose a serious threat to public health, underscoring the urgent need for effective computational approaches to screen novel anti-infective agents. Oligopeptides have emerged as promising candidates in…

Machine Learning · Computer Science 2025-09-25 Dayu Tan , Jing Chen , Xiaoping Zhou , Yansen Su , Chunhou Zheng

Large language models (LLMs) have shown remarkable advancements in chemistry and biomedical research, acting as versatile foundation models for various tasks. We introduce AMP-Designer, an LLM-based approach for swiftly designing novel…

Adverse drug interactions are largely preventable causes of medical accidents, which frequently result in physician and emergency room encounters. The detection of drug interactions in a lab, prior to a drug's use in medical practice, is…

Machine Learning · Computer Science 2023-02-08 Bar Vered , Guy Shtar , Lior Rokach , Bracha Shapira

Motivation: Automatic Anatomical Therapeutic Chemical (ATC) classification is a critical and highly competitive area of research in bioinformatics because of its potential for expediting drug develop-ment and research. Predicting an unknown…

Quantitative Methods · Quantitative Biology 2021-08-09 Loris Nanni , Alessandra Lumini , Sheryl Brahnam

Antibodies, a prominent class of approved biologics, play a crucial role in detecting foreign antigens. The effectiveness of antigen neutralisation and elimination hinges upon the strength, sensitivity, and specificity of the…

Quantitative Methods · Quantitative Biology 2023-09-06 Bruna Moreira da Silva , David B. Ascher , Nicholas Geard , Douglas E. V. Pires

Antibodies are a critical part of the immune system, having the function of directly neutralising or tagging undesirable objects (the antigens) for future destruction. Being able to predict which amino acids belong to the paratope, the…

Machine Learning · Statistics 2020-04-14 Andreea Deac , Petar Veličković , Pietro Sormanni

Recently, therapeutic peptides have demonstrated great promise for cancer treatment. To explore powerful anticancer peptides, artificial intelligence (AI)-based approaches have been developed to systematically screen potential candidates.…

Quantitative Methods · Quantitative Biology 2025-04-16 Joshua Zhi En Tan , JunJie Wee , Xue Gong , Kelin Xia

Artificial Intelligence (AI) and infectious diseases prediction have recently experienced a common development and advancement. Machine learning (ML) apparition, along with deep learning (DL) emergence, extended many approaches against…

Machine Learning · Computer Science 2025-01-29 Selestine Melchane , Youssef Elmir , Farid Kacimi , Larbi Boubchir

The discovery of peptides having high biological activity is very challenging mainly because there is an enormous diversity of compounds and only a minority have the desired properties. To lower cost and reduce the time to obtain promising…

Quantitative Methods · Quantitative Biology 2014-04-11 Sébastien Giguère , François Laviolette , Mario Marchand , Denise Tremblay , Sylvain Moineau , Éric Biron , Jacques Corbeil

Motivation: In silico methods for the prediction of antigenic peptides binding to MHC class I molecules play an increasingly important role in the identification of T-cell epitopes. Statistical and machine learning methods, in particular,…

Quantitative Methods · Quantitative Biology 2007-05-23 Laurent Jacob , Jean-Philippe Vert

The accurate identification of antiviral peptides (AVPs) is crucial for novel drug development. However, existing methods still have limitations in capturing complex sequence dependencies and distinguishing confusing samples with high…

Machine Learning · Computer Science 2026-01-19 Xinru Wen , Weizhong Lin , zi liu , Xuan Xiao

More infectious virus variants can arise from rapid mutations in their proteins, creating new infection waves. These variants can evade one's immune system and infect vaccinated individuals, lowering vaccine efficacy. Hence, to improve…

Machine Learning · Computer Science 2022-05-31 Glenda Tan Hui En , Koay Tze Erhn , Shen Bingquan

Antimicrobial resistance is an important public health concern that has implications in the practice of medicine worldwide. Accurately predicting resistance phenotypes from genome sequences shows great promise in promoting better use of…

The process of identifying and characterizing B-cell epitopes, which are the portions of antigens recognized by antibodies, is important for our understanding of the immune system, and for many applications including vaccine development,…

Quantitative Methods · Quantitative Biology 2025-12-10 Xiao Yuan

Antimicrobial stewardship (AMS) is critical in pediatric intensive care units (PICUs), where diagnostic uncertainty often drives broad-spectrum antibiotic use, increasing antimicrobial resistance and potential long-term harms. Machine…

Machine Learning · Computer Science 2026-05-22 Niklas Raehse , Luregn J. Schlapbach , Daphné Chopard