AIMC Topic: High-Throughput Screening Assays

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Engineering highly active nuclease enzymes with machine learning and high-throughput screening.

Cell systems
Optimizing enzymes to function in novel chemical environments is a central goal of synthetic biology, but optimization is often hindered by a rugged fitness landscape and costly experiments. In this work, we present TeleProt, a machine learning (ML) ...

An efficient deep learning-based strategy to screen inhibitors for GluN1/GluN3A receptor.

Acta pharmacologica Sinica
The GluN1/GluN3A receptor, a unique excitatory glycine receptor recently identified in the central nervous system, challenges traditional perspectives of N-methyl-D-aspartate (NMDA) receptor diversity and glycinergic signaling. Its role in emotional ...

Evolving biomaterials design from trial and error to intelligent innovation.

Acta biomaterialia
The design and exploration of biomaterials plays a pivotal role in many fields, including medical and engineering. The prevailing approach to biomaterials discovery relies on orthogonal experiments, with repeated attempts to optimize experimental con...

Intelligent larval zebrafish phenotype recognition via attention mechanism for high-throughput screening.

Computers in biology and medicine
BACKGROUND: Larval zebrafish phenotypes serve as critical research indicators in fields such as ecotoxicology and safety assessment since phenotypic defects are closely related to alterations of underlying pathway. However, identifying these defects ...

Data stewardship and curation practices in AI-based genomics and automated microscopy image analysis for high-throughput screening studies: promoting robust and ethical AI applications.

Human genomics
BACKGROUND: Researchers have increasingly adopted AI and next-generation sequencing (NGS), revolutionizing genomics and high-throughput screening (HTS), and transforming our understanding of cellular processes and disease mechanisms. However, these a...

Development of a deep neural network model based on high throughput screening data for predicting synergistic estrogenic activity of binary mixtures for consumer products.

Journal of hazardous materials
A paradigm of chemical risk assessment is continuously extending from focusing on 'single substances' to more comprehensive approaches that examines the combined toxicity among different components in 'mixtures.' This change aims to account for the c...

Food-derived DPP4 inhibitors: Drug discovery based on high-throughput virtual screening and deep learning.

Food chemistry
Dipeptidyl peptidase-4 (DPP-4) is a critical target for the treatment of type 2 diabetes. This study outlines the development of six compounds derived from food sources and modified to create promising candidates for the treatment of diabetes. These ...

High throughput analysis of rare nanoparticles with deep-enhanced sensitivity via unsupervised denoising.

Nature communications
The large-scale multiparametric analysis of individual nanoparticles is increasingly vital in the diverse fields of biology, medicine, and materials science. However, the current methods struggle with the tradeoff between measurement scalability and ...

PBScreen: A server for the high-throughput screening of placental barrier-permeable contaminants based on multifusion deep learning.

Environmental pollution (Barking, Essex : 1987)
Contaminants capable of crossing the placental barrier (PB) adversely affect female reproduction and fetal development. The rapid identification of PB-permeable contaminants is urgently needed due to the inefficiencies of conventional cell-based tran...

Machine learning enables high-throughput, low-replicate screening for novel anti-seizure targets and compounds using combined movement and calcium fluorescence in larval zebrafish.

European journal of pharmacology
Identifying new anti-seizure medications (ASMs) is difficult due to limitations in animal-based assays. Zebrafish (Danio rerio) serve as a model for chemical and genetic seizures, but current methods for detecting anti-seizure responses are limited b...