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Antimicrobial resistance (AMR) is escalating and outpacing current antibiotic development. Thus, discovering antibiotics effective against emerging pathogens is becoming increasingly critical. However, existing approaches cannot rapidly…

Machine Learning · Computer Science 2025-07-11 Tianang Leng , Fangping Wan , Marcelo Der Torossian Torres , Cesar de la Fuente-Nunez

Antimicrobial resistance (AMR) poses a global health threat, reducing the effectiveness of antibiotics and complicating clinical decision-making. To address this challenge, we introduce abx_amr_simulator, a Python-based simulation package…

Machine Learning · Computer Science 2026-03-13 Joyce Lee , Seth Blumberg

Recently, Antimicrobial peptides (AMPs) have been an area of interest in the researches, as the first line of defense against the bacteria. They are raising attention as an efficient way of fighting multidrug resistance. Discovering and…

Quantitative Methods · Quantitative Biology 2020-05-06 Neda Zarayeneh , Zahra Hanifeloo

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 resistance (AMR) is a growing global crisis projected to cause 10 million deaths per year by 2050. While the WHO Global Antimicrobial Resistance and Use Surveillance System (GLASS) provides standardized surveillance data…

Machine Learning · Computer Science 2026-02-27 Md Tanvir Hasan Turja

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…

Background: Antimicrobial resistance (AMR) is a major global public health problem, contributing to an estimated 4.95 million deaths in 2019 and projected to cause up to 10 million deaths annually and 100 trillion dollars in cumulative…

Populations and Evolution · Quantitative Biology 2026-01-06 Felipe Schardong , Claudio Jose Struchiner , Luiz Max Carvalho

Antimicrobial resistance (AMR) is a growing public health threat, estimated to cause over 10 million deaths per year and cost the global economy 100 trillion USD by 2050 under status quo projections. These losses would mainly result from an…

De novo therapeutic design is challenged by a vast chemical repertoire and multiple constraints, e.g., high broad-spectrum potency and low toxicity. We propose CLaSS (Controlled Latent attribute Space Sampling) - an efficient computational…

The discovery of novel antibiotics is critical to address the growing antimicrobial resistance (AMR). However, pharmaceutical industries face high costs (over $1 billion), long timelines, and a high failure rate, worsened by the rediscovery…

Computation and Language · Computer Science 2025-03-28 Maxime Delmas , Magdalena Wysocka , Danilo Gusicuma , André Freitas

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…

Antimicrobial resistance (AMR) poses a mounting global health crisis, requiring rapid and reliable prediction frameworks that capture its complex evolutionary dynamics. Traditional antimicrobial susceptibility testing (AST), while accurate,…

Populations and Evolution · Quantitative Biology 2025-11-18 Anshul Bagaria

As antibiotic-resistant bacterial strains are rapidly spreading worldwide, infections caused by these strains are emerging as a global crisis causing the death of millions of people every year. Antimicrobial Peptides (AMPs) are one of the…

Antimicrobial resistance (AMR) poses a significant public health and economic challenge, increasing treatment costs and reducing antibiotic effectiveness. This study employs machine learning to analyze genomic and epidemiological data from…

Quantitative Methods · Quantitative Biology 2025-09-05 Shubham Mishra , The Anh Han , Bruno Silvester Lopes , Shatha Ghareeb , Zia Ush Shamszaman

Antibiotic resistance presents a growing global health crisis, demanding new therapeutic strategies that target novel bacterial mechanisms. Recent advances in protein structure prediction and machine learning-driven molecule generation…

Biomolecules · Quantitative Biology 2025-05-22 Maximilian G. Schuh , Joshua Hesse , Stephan A. Sieber

Antibiotics are a vital class of drugs closely associated with the prevention and treatment of bacterial infections. Accurate prediction of molecular antimicrobial activity remains a key challenge in the pursuit of novel antibiotic…

Quantitative Methods · Quantitative Biology 2025-09-23 R. He

Antimicrobial resistance is one of the biggest health problem, especially in the current period of COVID-19 pandemic. Due to the unique membrane-destruction bactericidal mechanism, antimicrobial peptide-mimetic copolymers are paid more…

Biomolecules · Quantitative Biology 2022-12-09 Tianyu Wu , Yang Tang

Antimicrobial resistance threatens healthcare sustainability and motivates low-cost computational discovery of antimicrobial peptides (AMPs). De novo peptide generation must optimize antimicrobial activity and safety through low predicted…

Quantitative Methods · Quantitative Biology 2026-02-05 Fang Sheng , Mohammad Noaeen , Zahra Shakeri

Biological datasets amenable to applied machine learning are more available today than ever before, yet they lack adequate representation in the Data-for-Good community. Here we present a work in progress case study performing analysis on…

Machine Learning · Statistics 2016-07-06 John W. Santerre , James J. Davis , Fangfang Xia , Rick Stevens

The rise of Antimicrobial Resistance, particularly Multi-Drug Resistance (MDR), presents a critical challenge for clinical decision-making due to limited treatment options and delays in conventional susceptibility testing. This study…

Machine Learning · Computer Science 2026-03-03 Santanam Wishal , Riad Sahara
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