Transfer learning predicts species-specific drug interactions in emerging pathogens

CH Chung, D Chang, N Rhoads, M Shay, K Srinivasan… - bioRxiv, 2024 - biorxiv.org
Machine learning (ML) algorithms are necessary to efficiently identify potent drug
combinations within a large candidate space to combat drug resistance. However, existing …

Leveraging Systems-level Metabolic Modeling and Machine Learning to Optimize Antibiotic Combination Therapy Design

C Chung - 2023 - deepblue.lib.umich.edu
Over the past century, the rise of antibiotic resistance (AR) has closely followed the
discovery of new antibiotics and has continued to increase as antibiotic development stalled …

Machine learning to design antimicrobial combination therapies: Promises and pitfalls

JM Cantrell, CH Chung, S Chandrasekaran - Drug Discovery Today, 2022 - Elsevier
Combination therapies can overcome antimicrobial resistance (AMR) and repurpose
existing drugs. However, the large combinatorial space to explore presents a daunting …

Predicting drug-microbiome interactions with machine learning

LE McCoubrey, S Gaisford, M Orlu, AW Basit - Biotechnology advances, 2022 - Elsevier
Pivotal work in recent years has cast light on the importance of the human microbiome in
maintenance of health and physiological response to drugs. It is now clear that …

Shedding light on microbiome–drug interactions

K McCardle - Nature Computational Science, 2023 - nature.com
Many of the diverse microorganisms throughout the human gastrointestinal system—
collectively referred to as the human gut microbiome—contribute to metabolizing drugs …

A flux-based machine learning model to simulate the impact of pathogen metabolic heterogeneity on drug interactions

CH Chung, S Chandrasekaran - PNAS nexus, 2022 - academic.oup.com
Drug combinations are a promising strategy to counter antibiotic resistance. However,
current experimental and computational approaches do not account for the entire complexity …

[HTML][HTML] Metabolomics-driven exploration of the chemical drug space to predict combination antimicrobial therapies

AI Campos, M Zampieri - Molecular cell, 2019 - cell.com
Alternative to the conventional search for single-target, single-compound treatments,
combination therapies can open entirely new opportunities to fight antibiotic resistance …

Predicting human microbe–drug associations via graph convolutional network with conditional random field

Y Long, M Wu, CK Kwoh, J Luo, X Li - Bioinformatics, 2020 - academic.oup.com
Motivation Human microbes play critical roles in drug development and precision medicine.
How to systematically understand the complex interaction mechanism between human …

Predicting Microbe-Drug Associations Using Capsulenet and Transformer Embeddings

B Wang, T Wang, X Du, Y He, F Ma - Available at SSRN 4823263 - papers.ssrn.com
To overcome the lengthy timelines, high costs, and inefficiencies associated with traditional
experimental approaches in predicting potential microbe-drug associations, we introduce a …

[HTML][HTML] Chemogenomic model identifies synergistic drug combinations robust to the pathogen microenvironment

M Cokol, C Li, S Chandrasekaran - PLoS computational biology, 2018 - journals.plos.org
Antibiotics need to be effective in diverse environments in vivo. However, the pathogen
microenvironment can have a significant impact on antibiotic potency. Further, antibiotics are …