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Automated online coupling of robot-assisted single drop microextraction and liquid chromatography.

Journal of chromatography. A
A high-throughput and innovative setup has been developed to automate the online integration of single drop microextraction (SDME), liquid chromatography (LC) and high-resolution mass spectrometry (QqToF). SDME and LC were online hyphenated for the f...

Discovery of potential 1,3,5-Triazine compounds against strains of Plasmodium falciparum using supervised machine learning models.

European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
The Malaria burden was an escalating global encumbrance and need to be addressed with critical care. Anti-malarial drug discovery was integrated with supervised machine learning (ML) models to identify potent thiazolyl-traizine derivatives. This assi...

Prediction of biological activity of compounds containing a 1,3,5-triazinyl sulfonamide scaffold by artificial neural networks using simple molecular descriptors.

Bioorganic chemistry
Simple molecular descriptors of extensive series of 1,3,5-triazinyl sulfonamide derivatives, based on the structure of sulfonamides and their physicochemical properties, were designed and calculated. These descriptors were successfully applied as inp...

Analysis of pesticide residues by a support vector machine combined with fluorescence spectroscopy.

Applied optics
Pesticide residues enter a lake through the water cycle, causing harm to the water environment and human health. It is necessary to select highly sensitive fluorescence spectroscopy to detect pesticides (bifenthrin, prochloraz, and cyromazine), and a...

Antivirals for monkeypox virus: Proposing an effective machine/deep learning framework.

PloS one
Monkeypox (MPXV) is one of the infectious viruses which caused morbidity and mortality problems in these years. Despite its danger to public health, there is no approved drug to stand and handle MPXV. On the other hand, drug repurposing is a promisin...

Machine learning-assisted melamine-Cu nanozyme and cholinesterase integrated array for multi-category pesticide intelligent recognition.

Biosensors & bioelectronics
Expanding target pesticide species and intelligent pesticide recognition were formidable challenges for existing cholinesterase inhibition methods. To improve this status, multi-active Mel-Cu nanozyme with mimetic Cu-N sites was prepared for the firs...

A deep-learning model for predicting tyrosine kinase inhibitor response from histology in gastrointestinal stromal tumor.

The Journal of pathology
Over 90% of gastrointestinal stromal tumors (GISTs) harbor mutations in KIT or PDGFRA that can predict response to tyrosine kinase inhibitor (TKI) therapies, as recommended by NCCN (National Comprehensive Cancer Network) guidelines. However, gene seq...

A network toxicology and machine learning approach to investigate the mechanism of kidney injury from melamine and cyanuric acid co-exposure.

Ecotoxicology and environmental safety
BACKGROUND: Within the past two decades, high-profile cases of melamine (MA) exposure have raised significant toxicological concerns, particularly regarding food adulteration. While widely used as a fundamental organic chemical intermediate in variou...

Layer-by-Layer Self-Assembled Honeycomb Structure Flexible Pressure Sensor Array for Gait Analysis and Motion Posture Recognition with the Assistance of the ResNet-50 Neural Network.

ACS sensors
With the rapid emergence of flexible electronics, flexible pressure sensors are of importance in various fields. In this study, a dopamine-modified melamine sponge (MS) was used to prepare a honeycomb structure of carbon black (CB)/MXene-silicone rub...