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Scientific discovery relies on scientists generating novel hypotheses that undergo rigorous experimental validation. To augment this process, we introduce an AI co-scientist, a multi-agent system built on Gemini 2.0. The AI co-scientist is…

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

Scientific discovery is a complex cognitive process that has driven human knowledge and technological progress for centuries. While artificial intelligence (AI) has made significant advances in automating aspects of scientific reasoning,…

Machine Learning · Computer Science 2024-12-24 Chandan K Reddy , Parshin Shojaee

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…

Since the mechanism of action of drug molecules in the human body is difficult to reproduce in the in vitro environment, it becomes difficult to reveal the causes of the activity cliff phenomenon of drug molecules. We found out the AC of…

Biomolecules · Quantitative Biology 2024-11-05 Kewei Li , Yuqian Wu , Yinheng Li , Yutong Guo , Yan Wang , Yiyang Liang , Yusi Fan , Lan Huang , Ruochi Zhang , Fengfeng Zhou

In the present article, we propose a paradigm shift on evolving Artificial Neural Networks (ANNs) towards a new bio-inspired design that is grounded on the structural properties, interactions, and dynamics of protein networks (PNs): the…

Neural and Evolutionary Computing · Computer Science 2024-06-10 Oscar Lao , Konstantinos Zacharopoulos , Apostolos Fournaris , Rossano Schifanella , Ioannis Arapakis

Studying the growth and metabolism of microbes provides critical insights into their evolutionary adaptations to harsh environments, which are essential for microbial research and biotechnology applications. In this study, we developed an…

Image and Video Processing · Electrical Eng. & Systems 2025-05-06 Shuang Zhang , Carleton Coffin , Karyn L. Rogers , Catherine Ann Royer , Ge Wang

Artificial intelligence (AI) algorithms using deep learning have advanced the classification of skin disease images; however these algorithms have been mostly applied "in silico" and not validated clinically. Most dermatology AI algorithms…

Computer Vision and Pattern Recognition · Computer Science 2021-05-24 Roxana Daneshjou , Carrie Kovarik , Justin M Ko

This paper studies the impact of artificial intelligence on innovation, exploiting the randomized introduction of a new materials discovery technology to 1,018 scientists in the R&D lab of a large U.S. firm. AI-assisted researchers discover…

General Economics · Economics 2025-05-21 Aidan Toner-Rodgers

Recent advances in generative biology have enabled the design of novel proteins, creating significant opportunities for drug discovery while also introducing new risks, including the potential development of synthetic bioweapons. Existing…

Quantitative Methods · Quantitative Biology 2025-09-04 Jonathan Feldman , Tal Feldman

Anticancer peptides (ACPs) are a class of molecules that have gained significant attention in the field of cancer research and therapy. ACPs are short chains of amino acids, the building blocks of proteins, and they possess the ability to…

Biomolecules · Quantitative Biology 2024-01-05 Zeynep Hilal Kilimci , Mustafa Yalcin

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

Taste peptides have emerged as promising natural flavoring agents attributed to their unique organoleptic properties, high safety profile, and potential health benefits. However, the de novo identification of taste peptides derived from…

The pharmaceutical industry faces unprecedented challenges in drug discovery, with traditional approaches struggling to meet modern therapeutic development demands. This paper introduces a novel AI framework, Tippy, that transforms…

The study by Jung et al. (Jung H, Covino R, Arjun A, et al., Nat Comput Sci. 3:334-345 (2023)) introduced Artificial Intelligence for Molecular Mechanism Discovery (AIMMD), a novel sampling algorithm that integrates machine learning to…

Computational Physics · Physics 2026-02-06 Porhouy Minh , Sapna Sarupria

Artificial Intelligence (AI) agents have rapidly evolved from specialized, rule-based programs to versatile, learning-driven autonomous systems capable of perception, reasoning, and action in complex environments. The explosion of data,…

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

Immune cells learn about their antigenic targets using tactile sense: during recognition, a highly organized yet dynamic motif, named immunological synapse, forms between immune cells and antigen-presenting cells (APCs). Via synapses,…

Biological Physics · Physics 2018-12-12 Miloš Knežević , Shenshen Wang

This study explores agentic AI's transformative role in product management, proposing a conceptual co-evolutionary framework to guide its integration across the product lifecycle. Agentic AI, characterized by autonomy, goal-driven behavior,…

Computational Engineering, Finance, and Science · Computer Science 2025-07-03 Nishant A. Parikh
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