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High-Throughput Screening Assays

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Using VIS-NIR hyperspectral imaging and deep learning for non-destructive high-throughput quantification and visualization of nutrients in wheat grains.

Food chemistry
High-throughput and low-cost quantification of the nutrient content in crop grains is crucial for food processing and nutritional research. However, traditional methods are time-consuming and destructive. A high-throughput and low-cost method of quan...

E-pharmacophore and deep learning based high throughput virtual screening for identification of CDPK1 inhibitors of Cryptosporidium parvum.

Computational biology and chemistry
Cryptosporidiosis, a prevalent gastrointestinal illness worldwide, is caused by the protozoan parasite Cryptosporidium parvum. Calcium-dependent protein kinase 1 (CpCDPK1), crucial for the parasite's life cycle, serves as a promising drug target due ...

Perspectives on current approaches to virtual screening in drug discovery.

Expert opinion on drug discovery
INTRODUCTION: For the past two decades, virtual screening (VS) has been an efficient hit finding approach for drug discovery. Today, billions of commercially accessible compounds are routinely screened, and many successful examples of VS have been re...

Machine learning approach for high-throughput phenolic antioxidant screening in black Rice germplasm collection based on surface FTIR.

Food chemistry
Pigmented rice contains beneficial phenolic antioxidants but analysing them across germplasm collections is laborious and time-consuming. Here we utilised rapid surface Fourier transform infrared (FTIR) spectroscopy and machine learning algorithms (M...

High-throughput prediction of stalk cellulose and hemicellulose content in maize using machine learning and Fourier transform infrared spectroscopy.

Bioresource technology
Cellulose and hemicellulose are key cross-linked carbohydrates affecting bioethanol production in maize stalks. Traditional wet chemical methods for their detection are labor-intensive, highlighting the need for high-throughput techniques. This study...

Automated High-Throughput Atomic Force Microscopy Single-Cell Nanomechanical Assay Enabled by Deep Learning-Based Optical Image Recognition.

Nano letters
Mechanical forces are essential for life activities, and the mechanical phenotypes of single cells are increasingly gaining attention. Atomic force microscopy (AFM) has been a standard method for single-cell nanomechanical assays, but its efficiency ...

Antimicrobial activity of compounds identified by artificial intelligence discovery engine targeting enzymes involved in Neisseria gonorrhoeae peptidoglycan metabolism.

Biological research
BACKGROUND: Neisseria gonorrhoeae (Ng) causes the sexually transmitted disease gonorrhoea. There are no vaccines and infections are treated principally with antibiotics. However, gonococci rapidly develop resistance to every antibiotic class used and...

On synergy between ultrahigh throughput screening and machine learning in biocatalyst engineering.

Faraday discussions
Protein design and directed evolution have separately contributed enormously to protein engineering. Without being mutually exclusive, the former relies on computation from first principles, while the latter is a combinatorial approach based on chanc...