AIMC Topic: Amino Acids

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Automating the amino acid identification in elliptical dichroism spectrometer with Machine Learning.

PloS one Jan 17, 2025
Amino acid identification is crucial across various scientific disciplines, including biochemistry, pharmaceutical research, and medical diagnostics. However, traditional methods such as mass spectrometry require extensive sample preparation and are ...
Algorithms Amino Acids Circular Dichroism Machine Learning
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Machine learning based identification of an amino acid metabolism related signature for predicting prognosis and immune microenvironment in pancreatic cancer.

BMC cancer Jan 3, 2025
BACKGROUND: Pancreatic cancer is a highly aggressive neoplasm characterized by poor diagnosis. Amino acids play a prominent role in the occurrence and progression of pancreatic cancer as essential building blocks for protein synthesis and key regulat...
Tumor Microenvironment Biomarkers, Tumor Male Prognosis Female Gene Expression Regulation, Neoplastic Pancreatic Neoplasms Humans Amino Acids Machine Learning Gene Expression Profiling Transcriptome
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Geographical classification of population: Analysis of amino acid in fingermark residues using UHPLC-QQQ-MS/MS combined with machine learning.

Forensic science international Nov 8, 2024
OBJECTIVE: To determine the living regions of individuals based on amino acids in fingermark residues and to establish a rapid and accurate regional classification method using machine learning.
Male China Amino Acids Female Adult Geography Dermatoglyphics Chromatography, High Pressure Liquid Tandem Mass Spectrometry Machine Learning Algorithms Humans
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Development of Peptide Identification System for ToF-SIMS Spectra Using Supervised Machine Learning.

Journal of the American Society for Mass Spectrometry Oct 12, 2024
Time-of-flight secondary ion mass spectrometry (ToF-SIMS) data interpretation for organic materials is complicated because of various fragment ions produced from each molecule and the overlapping of certain mass peaks from different molecules. Fragme...
Peptides Amino Acid Sequence Spectrometry, Mass, Secondary Ion Amino Acids Supervised Machine Learning
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An intelligent sensing platform for detecting and identifying biochemical substances based on terahertz spectra.

Talanta Sep 27, 2024
This paper presents the development of an intelligent sensing platform dedicated to accurately identifying terahertz (THz) spectra obtained from various biochemical substances. The platform currently has two distinct identification modes, which focus...
Carbohydrates Terahertz Spectroscopy Neural Networks, Computer Amino Acids
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Decoding the impact of neighboring amino acids on ESI-MS intensity output through deep learning.

Journal of proteomics Sep 26, 2024
Peptide-level quantification using mass spectrometry (MS) is no trivial task as the physicochemical properties affect both response and detectability. The specific amino acid (AA) sequence affects these properties, however the connection between sequ...
Amino Acid Motifs Peptides Amino Acid Sequence Deep Learning Spectrometry, Mass, Electrospray Ionization Amino Acids
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Impact of Multi-Factor Features on Protein Secondary Structure Prediction.

Biomolecules Sep 13, 2024
Protein secondary structure prediction (PSSP) plays a crucial role in resolving protein functions and properties. Significant progress has been made in this field in recent years, and the use of a variety of protein-related features, including amino ...
Machine Learning Proteins Databases, Protein Computational Biology Amino Acids Protein Structure, Secondary Amino Acid Sequence
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Serum targeted metabolomics uncovering specific amino acid signature for diagnosis of intrahepatic cholangiocarcinoma.

Journal of pharmaceutical and biomedical analysis Sep 2, 2024
Intrahepatic cholangiocarcinoma (iCCA) is a hepatobiliary malignancy which accounts for approximately 5-10 % of primary liver cancers and has a high mortality rate. The diagnosis of iCCA remains significant challenges owing to the lack of specific an...
Bile Duct Neoplasms Cholangiocarcinoma Amino Acids gamma-Glutamyltransferase Middle Aged Metabolomics Female Aged Biomarkers, Tumor Male Sensitivity and Specificity Humans Machine Learning
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Generative artificial intelligence performs rudimentary structural biology modeling.

Scientific reports Aug 21, 2024
Natural language-based generative artificial intelligence (AI) has become increasingly prevalent in scientific research. Intriguingly, capabilities of generative pre-trained transformer (GPT) language models beyond the scope of natural language tasks...
Amino Acids Protein Conformation Coronavirus 3C Proteases Artificial Intelligence SARS-CoV-2 Models, Molecular Humans COVID-19
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AAontology: An Ontology of Amino Acid Scales for Interpretable Machine Learning.

Journal of molecular biology Jul 24, 2024
Amino acid scales are crucial for protein prediction tasks, many of them being curated in the AAindex database. Despite various clustering attempts to organize them and to better understand their relationships, these approaches lack the fine-grained ...
Cluster Analysis Databases, Protein Machine Learning Proteins Amino Acids Computational Biology
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