AIMC Topic: High-Throughput Screening Assays

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High-throughput, rapid, and non-destructive detection of common foodborne pathogens via hyperspectral imaging coupled with deep neural networks and support vector machines.

Food research international (Ottawa, Ont.)
Foodborne pathogens such as Bacillus cereus, Staphylococcus aureus, and Escherichia coli are major causes of gastrointestinal diseases worldwide and frequently contaminate dairy products. Compared to nucleic acid detection and MALDI-TOF MS, hyperspec...

Machine Learning-Assisted High-Throughput Screening for Anti-MRSA Compounds.

IEEE/ACM transactions on computational biology and bioinformatics
BACKGROUND: Antimicrobial resistance is a major public health threat, and new agents are needed. Computational approaches have been proposed to reduce the cost and time needed for compound screening.

Automation of multiplex biochemical assays to enhance productivity and reduce cycle time using a modular robotic platform.

SLAS technology
Pharmaceutical and biotechnology companies are increasingly being challenged to shorten the cycle time between design, make, test, and analyze (DMTA) compounds. Automation of multiplex assays to obtain multiparameter data on the same robotic run is i...

Ultradense Electrochemical Chip and Machine Learning for High-Throughput, Accurate Anticancer Drug Screening.

ACS sensors
Despite the potentialities of electrochemical sensors, these devices still encounter challenges in devising high-throughput and accurate drug susceptibility testing. The lack of platforms for providing these analyses over the preclinical trials of dr...

High-throughput point-of-care serum iron testing utilizing machine learning-assisted deep eutectic solvent fluorescence detection platform.

Journal of colloid and interface science
In this study, a high-throughput point-of-care testing (HT-POCT) system for detecting serum iron was developed using a hydrophobic deep eutectic solvent (HDES) fluorescence detection platform. This machine learning-assisted portable platform enables ...

Small Molecule Inhibitors of Topoisomerase I Identified by Machine Learning and In Vitro Assays.

International journal of molecular sciences
Tuberculosis (TB) caused by is a leading infectious cause of death globally. The treatment of patients becomes much more difficult for the increasingly common multi-drug resistant TB. Topoisomerase I is essential for the viability of and has been v...

High-throughput prediction of oral acute toxicity in Rat and Mouse of over 100,000 polychlorinated persistent organic pollutants (PC-POPs) by interpretable data fusion-driven machine learning global models.

Journal of hazardous materials
This study utilized available oral acute toxicity data in Rat and Mouse for polychlorinated persistent organic pollutants (PC-POPs) to construct data fusion-driven machine learning (ML) global models. Based on atom-centered fragments (ACFs), the coll...

Antiviral Peptide-Generative Pre-Trained Transformer (AVP-GPT): A Deep Learning-Powered Model for Antiviral Peptide Design with High-Throughput Discovery and Exceptional Potency.

Viruses
Traditional antiviral peptide (AVP) discovery is a time-consuming and expensive process. This study introduces AVP-GPT, a novel deep learning method utilizing transformer-based language models and multimodal architectures specifically designed for AV...

Enhancing the Predictive Power of Machine Learning Models through a Chemical Space Complementary DEL Screening Strategy.

Journal of medicinal chemistry
DNA-encoded library (DEL) technology is an effective method for small molecule drug discovery, enabling high-throughput screening against target proteins. While DEL screening produces extensive data, it can reveal complex patterns not easily recogniz...

Machine Learning-Driven Data Valuation for Optimizing High-Throughput Screening Pipelines.

Journal of chemical information and modeling
In the rapidly evolving field of drug discovery, high-throughput screening (HTS) is essential for identifying bioactive compounds. This study introduces a novel application of data valuation, a concept for evaluating the importance of data points bas...