AIMC Topic: High-Throughput Screening Assays
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High-throughput screening accelerated by machine learning for the morphology of silica nanoparticles with high cell permeability.
Nanoscale
Aug 21, 2025
In recent years, silica nanoparticles have garnered tremendous attention as drug-delivery carriers. However, the cell permeability of nanoparticles remains a major obstacle that limits the drug-delivery efficiency of drug carriers. It is a common pra...
Integrated transcriptomic and functional modeling reveals AKT and mTOR synergy in colorectal cancer.
Scientific reports
Jul 31, 2025
Colorectal cancer (CRC) treatment remains challenging due to genetic heterogeneity and resistance mechanisms. To address this, we developed a drug discovery pipeline using patient-derived primary CRC cultures with diverse genomic profiles. These cult...
High-throughput behavioral screening in Caenorhabditis elegans using machine learning for drug repurposing.
Scientific reports
Jul 18, 2025
Caenorhabditis elegans is a widely used animal model for researching new disease treatments. In recent years, automated methods have been developed to extract mobility phenotypes and analyse, using statistical methods, whether there are differences b...
Machine Learning-Assisted Iterative Screening for Efficient Detection of Drug Discovery Starting Points.
Journal of medicinal chemistry
Jul 14, 2025
High-throughput screening (HTS) remains central to small molecule lead discovery, but increasing assay complexity challenges the screening of large compound libraries. While retrospective studies have assessed active-learning-guided screening, extens...
Measurement and prediction of small molecule retention by Gram-negative bacteria based on a large-scale LC/MS screen.
Scientific reports
Jul 14, 2025
The challenge of assessing intracellular accumulation represents a major hurdle to the discovery of new antibiotics with Gram-negative activity. To address this, a high-throughput assay was developed to measure compound uptake and retention in Escher...
Modification and applications of glucose oxidase: optimization strategies and high-throughput screening technologies.
World journal of microbiology & biotechnology
Jul 12, 2025
Glucose oxidase (GOD), an oxidoreductase (EC 1.1.3.4), catalyzes the oxidation of β-D-glucose to gluconic acid using molecular oxygen as the electron acceptor, with concomitant generation of hydrogen peroxide. Owing to its versatile catalytic propert...
Combining the NanaPPI Toolbox and AI-Driven Virtual Inhibitor Screening for the p53-MDM2 Interaction.
Analytical chemistry
Jul 7, 2025
High-throughput screening for inhibitors of protein-protein interactions (PPIs) provides vital information for therapeutic intervention in diseases driven by aberrant PPIs. Traditionally, the discovery of PPI inhibitors involves sequential steps: in ...
Ultrahigh-Throughput Virtual Screening Strategies against PPI Targets: A Case Study of STAT Inhibitors.
Journal of chemical information and modeling
Jul 4, 2025
In recent years, virtual screening of ultralarge (10) libraries of synthetically accessible compounds (uHTVS) became a popular approach in hit identification. With AI-assisted virtual screening workflows, such as Deep Docking, these protocols might b...
A Machine Learning Approach to Molecular Initiating Event Prediction Using High-Throughput Transcriptomic Chemical Screening Data.
Journal of chemical information and modeling
Jul 1, 2025
Improved scalability of high-throughput RNA-sequencing technologies has contributed to their proposed use in regulatory contexts for chemical hazard identification. However, the high dimensionality and size of these transcriptomic data sets present a...
High-Throughput Analysis of Protein Adsorption to a Large Library of Polymers Using Liquid Extraction Surface Analysis-Tandem Mass Spectrometry (LESA-MS/MS).
Analytical chemistry
Jun 10, 2025
Biomaterials play an important role in medicine from contact lenses to joint replacements. High-throughput screening coupled with machine learning has identified synthetic polymers that prevent bacterial biofilm formation, prevent fungal cell attachm...
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