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Often the development of novel functional peptides is not amenable to high throughput or purely computational screening methods. Peptides must be synthesized one at a time in a process that does not generate large amounts of data. One way…

Biomolecules · Quantitative Biology 2020-12-14 Rainier Barrett , Andrew D. White

Given the emerging global threat of antimicrobial resistance, new methods for next-generation antimicrobial design are urgently needed. We report a peptide generation framework PepCVAE, based on a semi-supervised variational autoencoder…

Counting microbial colonies is a fundamental task in microbiology and has many applications in numerous industry branches. Despite this, current studies towards automatic microbial counting using artificial intelligence are hardly…

Computer Vision and Pattern Recognition · Computer Science 2022-09-07 Sylwia Majchrowska , Jarosław Pawłowski , Natalia Czerep , Aleksander Górecki , Jakub Kuciński , Tomasz Golan

New antibiotics are needed to battle growing antibiotic resistance, but the development process from hit, to lead, and ultimately to a useful drug, takes decades. Although progress in molecular property prediction using machine-learning…

Classifying Antimicrobial Peptides (AMPs) from the vast collection of peptides derived from metagenomic sequencing offers a promising avenue for combating antibiotic resistance. However, most existing AMP classification methods rely…

Quantitative Methods · Quantitative Biology 2026-01-15 Yingxu Wang , Victor Liang , Nan Yin , Siwei Liu , Eran Segal

The use of machine learning and intelligent systems has become an established practice in the realm of malware detection and cyber threat prevention. In an environment characterized by widespread accessibility and big data, the feasibility…

Machine Learning · Computer Science 2019-07-09 Sean M. Devine , Nathaniel D. Bastian

Antimicrobial resistance (AMR) is projected to cause up to 10 million deaths annually by 2050, underscoring the urgent need for new antibiotics. Here we present ApexAmphion, a deep-learning framework for de novo design of antibiotics that…

Biological and artificial networks routinely make reliable distinctions between similar inputs, and the rules for making these distinctions are learned. In some ways, self/nonself discrimination in the immune system is similar, being both…

The translation of comparative genomics into clinical decision support tools often depends on the quality of sequence alignments. However, currently used methods of multiple sequence alignments suffer from significant biases and problems…

Genomics · Quantitative Biology 2023-11-30 Manal Helal , Vitali Sintchenko

The identification of essential proteins in protein-protein interaction networks (PINs) can help to discover drug targets and prevent disease. In order to improve the accuracy of the identification of essential proteins, researchers…

Molecular Networks · Quantitative Biology 2023-12-08 Haoyue Wang , Li Pan , Bo Yang , Junqiang Jiang , Wenbin Li

Computer-aided diagnosis (CAD), a vibrant medical imaging research field, is expanding quickly. Because errors in medical diagnostic systems might lead to seriously misleading medical treatments, major efforts have been made in recent years…

Machine Learning · Computer Science 2023-08-04 Farzaneh Tajidini , Mohammad-Javad Kheiri

The success of therapeutic antibodies relies on their ability to selectively bind antigens. AI-based antibody design protocols have shown promise in generating epitope-specific designs. Many of these protocols use an inverse folding step to…

Quantitative Methods · Quantitative Biology 2023-12-12 Divya Nori , Simon V. Mathis , Amir Shanehsazzadeh

Machine learning (ML) has been playing important roles in drug discovery in the past years by providing (pre-)screening tools for prioritising chemical compounds to pass through wet lab experiments. One of the main ML tasks in drug…

Biomolecules · Quantitative Biology 2025-02-25 Alex G. C. de Sá , David B. Ascher

Discovery gene-disease links is important in biology and medicine areas, enabling disease identification and drug repurposing. Machine learning approaches accelerate this process by leveraging biological knowledge represented in ontologies…

Machine Learning · Computer Science 2025-04-14 Catarina Canastra , Cátia Pesquita

Machine learning applications in protein sciences have ushered in a new era for designing molecules in silico. Antibodies, which currently form the largest group of biologics in clinical use, stand to benefit greatly from this shift.…

Accumulated clinical studies show that microbes living in humans interact closely with human hosts, and get involved in modulating drug efficacy and drug toxicity. Microbes have become novel targets for the development of antibacterial…

Quantitative Methods · Quantitative Biology 2021-08-16 Lei Deng , Yibiao Huang , Xuejun Liu , Hui Liu

Mixup is a procedure for data augmentation that trains networks to make smoothly interpolated predictions between datapoints. Adversarial training is a strong form of data augmentation that optimizes for worst-case predictions in a compact…

Machine Learning · Computer Science 2021-03-23 Jason Bunk , Srinjoy Chattopadhyay , B. S. Manjunath , Shivkumar Chandrasekaran

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

The adaptive immune system is a natural diagnostic and therapeutic. It recognizes threats earlier than clinical symptoms manifest and neutralizes antigen with exquisite specificity. Recognition specificity and broad reactivity is enabled…

Quantitative Methods · Quantitative Biology 2019-07-26 Alex J. Brown , Igor Snapkov , Rahmad Akbar , Milena Pavlović , Enkelejda Miho , Geir K. Sandve , Victor Greiff

Antimicrobial-resistant (AMR) microbes are a growing challenge in healthcare, rendering modern medicines ineffective. AMR arises from antibiotic production and bacterial evolution, but quantifying its transmission remains difficult. With…

Machine Learning · Computer Science 2025-02-04 Qian Fu , Yuzhe Zhang , Yanfeng Shu , Ming Ding , Lina Yao , Chen Wang