AIMC Topic: Least-Squares Analysis

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MAMSI: Integration of Multiassay Liquid Chromatography-Mass Spectrometry Metabolomics Data Using Multiview Machine Learning.

Analytical chemistry
Liquid chromatography-mass spectrometry (LC-MS) is a commonly used analytical technique in untargeted metabolomics. However, the diverse chemical and physical properties of metabolites often require the use of several different analytical assays for ...

Saliency-enhanced infrared and visible image fusion via sub-window variance filter and weighted least squares optimization.

PloS one
This paper proposes a novel method for infrared and visible image fusion (IVIF) to address the limitations of existing techniques in enhancing salient features and improving visual clarity. The method employs a sub-window variance filter (SVF) based ...

Implementing partial least squares and machine learning regressive models for prediction of drug release in targeted drug delivery application.

Scientific reports
A combined methodology was performed based on chemometrics and machine learning regressive models in estimation of polysaccharide-coated colonic drug delivery. The release of medication was measured using Raman spectroscopy and the data was used for ...

Multivariate and Machine Learning-Derived Virtual Staining and Biochemical Quantification of Cancer Cells through Raman Hyperspectral Imaging.

Analytical chemistry
Advances in virtual staining and spatial omics have revolutionized our ability to explore cellular architecture and molecular composition with unprecedented detail. Virtual staining techniques, which rely on computational algorithms to map molecular ...

Classification of Lu'an Gua Pian tea before and after Qingming Festival using HPLC-DAD analysis: a comparison of different data analysis strategies.

Analytical methods : advancing methods and applications
Lu'an Gua Pian tea (LAGP) is a traditional Chinese historical tea and one of the top ten famous teas in China. The price of LAGP from the same place of origin varies greatly in the market depending on the harvest time, with the LAGP harvested before ...

Fast and accurate discrimination analysis of Angelicae Pubescentis Radix using non-targeted analytical profiles images and two-dimensional convolution neural network.

Journal of chromatography. A
This study developed an effective approach for discriminating geographical origins of Duhuo samples using non-targeted UPLC chromatograms and UV-Vis spectrogram images combined with a two-dimensional convolution neural network (2D-CNN). For compariso...

Non-destructive measurement of eggshell strength using NIR spectroscopy and explainable artificial intelligence.

Journal of the science of food and agriculture
BACKGROUND: Eggshell strength is crucial for ensuring high-quality eggs, reducing breakage during handling, and meeting consumer expectations for freshness and integrity. Conventional methods of eggshell strength measurement are often destructive, ti...

Comprehensive quality evaluation of crude material of Ligusticum chuanxiong Hort. through high performance liquid chromatography coupled with DenseNet-121 assisted hyperspectral imaging and anti-thrombotic zebrafish bioassay.

Journal of pharmaceutical and biomedical analysis
An innovative, integrated strategy was developed for rapid and comprehensive quality assessment of Ligusticum chuanxiong Hort., the key raw material for Guanxinning tablets. This approach simultaneously evaluates both chemical composition and biologi...

Molecular docking-QSAR-Kronecker-regularized least squares-based multiple machine learning for assessment and prediction of PFAS-protein binding interactions.

Journal of hazardous materials
Ubiquitous per- and poly-fluoroalkyl substances (PFAS) threaten human's health and attract worldwide attention. PFAS-mediated toxicity involves adverse effects of PFAS on proteins, and assessment of PFAS-protein binding interactions helps to explain ...

Compositional analysis of alternative protein blends using near and mid-infrared spectroscopy coupled with conventional and machine learning algorithms.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
The non-invasive real-time analysis of the composition of alternative, plant-based protein sources is important to control high moisture extrusion processes and ensure the quality and texture of the final extrudates used in the elaboration of meat an...