Tutorial: multivariate classification for vibrational spectroscopy in biological samples
出版年份 2020 全文链接
标题
Tutorial: multivariate classification for vibrational spectroscopy in biological samples
作者
关键词
-
出版物
Nature Protocols
Volume 15, Issue 7, Pages 2143-2162
出版商
Springer Science and Business Media LLC
发表日期
2020-06-18
DOI
10.1038/s41596-020-0322-8
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Improving data splitting for classification applications in spectrochemical analyses employing a random-mutation Kennard-Stone algorithm approach
- (2019) Camilo L M Morais et al. BIOINFORMATICS
- TTWD-DA: A MATLAB toolbox for discriminant analysis based on trilinear three-way data
- (2019) Camilo L.M. Morais et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- Standardization of complex biologically derived spectrochemical datasets
- (2019) Camilo L. M. Morais et al. Nature Protocols
- New approach to investigate Common Variable Immunodeficiency patients using spectrochemical analysis of blood
- (2019) Emma L. Callery et al. Scientific Reports
- Clinical applications of infrared and Raman spectroscopy: state of play and future challenges
- (2018) Matthew J. Baker et al. ANALYST
- Near infrared spectroscopy: A mature analytical technique with new perspectives – A review
- (2018) Celio Pasquini ANALYTICA CHIMICA ACTA
- Synchrotron- and focal plane array-based Fourier-transform infrared spectroscopy differentiates the basalis and functionalis epithelial endometrial regions and identifies putative stem cell regions of human endometrial glands
- (2018) Georgios Theophilou et al. ANALYTICAL AND BIOANALYTICAL CHEMISTRY
- libPLS: An integrated library for partial least squares regression and linear discriminant analysis
- (2018) Hong-Dong Li et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- Connecting infrared spectra with plant traits to identify species
- (2018) Maria F. Buitrago et al. ISPRS JOURNAL OF PHOTOGRAMMETRY AND REMOTE SENSING
- Multiclass partial least squares discriminant analysis: Taking the right way-A critical tutorial
- (2018) Alexey L. Pomerantsev et al. JOURNAL OF CHEMOMETRICS
- Raman spectroscopic techniques to detect ovarian cancer biomarkers in blood plasma
- (2018) Maria Paraskevaidi et al. TALANTA
- Blood-based near-infrared spectroscopy for the rapid low-cost detection of Alzheimer's disease
- (2018) Maria Paraskevaidi et al. ANALYST
- Uncertainty estimation and misclassification probability for classification models based on discriminant analysis and support vector machines
- (2018) Camilo L.M. Morais et al. ANALYTICA CHIMICA ACTA
- SVM for FT-MIR prostate cancer classification: An alternative to the traditional methods
- (2018) Laurinda F.S. Siqueira et al. JOURNAL OF CHEMOMETRICS
- Design of Experiments in metabolomics-related studies: An overview
- (2018) Julia Jacyna et al. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
- Differential diagnosis of Alzheimer’s disease using spectrochemical analysis of blood
- (2017) Maria Paraskevaidi et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Spectroscopy with computational analysis in virological studies: A decade (2006–2016)
- (2017) Marfran C.D. Santos et al. TRAC-TRENDS IN ANALYTICAL CHEMISTRY
- Cultivation-Free Raman Spectroscopic Investigations of Bacteria
- (2017) Björn Lorenz et al. TRENDS IN MICROBIOLOGY
- Comparison of multivariate analysis methods for extracting the paraffin component from the paraffin-embedded cancer tissue spectra for Raman imaging
- (2017) Phiranuphon Meksiarun et al. Scientific Reports
- MIR-biospectroscopy coupled with chemometrics in cancer studies
- (2016) Laurinda F. S. Siqueira et al. ANALYST
- Sensitivity, Prediction Uncertainty, and Detection Limit for Artificial Neural Network Calibrations
- (2016) Franco Allegrini et al. ANALYTICAL CHEMISTRY
- Clinical instrumentation and applications of Raman spectroscopy
- (2016) Isaac Pence et al. CHEMICAL SOCIETY REVIEWS
- Near-infrared spectroscopy for medical applications: Current status and future perspectives
- (2016) Akikazu Sakudo CLINICA CHIMICA ACTA
- Initialization of K-modes clustering using outlier detection techniques
- (2016) Feng Jiang et al. INFORMATION SCIENCES
- Model-based pre-processing in Raman spectroscopy of biological samples
- (2016) Kristian Hovde Liland et al. JOURNAL OF RAMAN SPECTROSCOPY
- Using Raman spectroscopy to characterize biological materials
- (2016) Holly J Butler et al. Nature Protocols
- Vocabulary of concepts and terms in chemometrics (IUPAC Recommendations 2016)
- (2016) David B. Hibbert PURE AND APPLIED CHEMISTRY
- Classification of biodegradable materials using QSAR modelling with uncertainty estimation§
- (2016) W. F. C. Rocha et al. SAR AND QSAR IN ENVIRONMENTAL RESEARCH
- A decade (2004 – 2014) of FTIR prostate cancer spectroscopy studies: An overview of recent advancements
- (2016) Laurinda F.S. Siqueira et al. TRAC-TRENDS IN ANALYTICAL CHEMISTRY
- The use of Raman spectroscopy in food processes: A review
- (2015) Huaizhou Jin et al. APPLIED SPECTROSCOPY REVIEWS
- MCR-ALS GUI 2.0: New features and applications
- (2015) Joaquim Jaumot et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- Applications of Near-infrared Spectroscopy in Food Safety Evaluation and Control: A Review of Recent Research Advances
- (2015) Jia-Huan Qu et al. CRITICAL REVIEWS IN FOOD SCIENCE AND NUTRITION
- Fourier Transform Infrared Spectroscopy (FTIR) as a Tool for the Identification and Differentiation of Pathogenic Bacteria
- (2015) Paulina Zarnowiec et al. CURRENT MEDICINAL CHEMISTRY
- Near-infrared spectroscopy for the detection and quantification of bacterial contaminations in pharmaceutical products
- (2015) Cristina Quintelas et al. INTERNATIONAL JOURNAL OF PHARMACEUTICS
- Comparison of the variable importance in projection (VIP) and of the selectivity ratio (SR) methods for variable selection and interpretation
- (2015) Mireia Farrés et al. JOURNAL OF CHEMOMETRICS
- The application of Raman spectroscopy for the detection and identification of microorganisms
- (2015) Stephan Stöckel et al. JOURNAL OF RAMAN SPECTROSCOPY
- Deep learning
- (2015) Yann LeCun et al. NATURE
- Transmission FT-IR Chemical Imaging on Glass Substrates: Applications in Infrared Spectral Histopathology
- (2014) Paul Bassan et al. ANALYTICAL CHEMISTRY
- Principal component analysis
- (2014) Rasmus Bro et al. Analytical Methods
- Use of Infrared Spectroscopy for In-Field Measurement and Phenotyping of Plant Properties: Instrumentation, Data Analysis, and Examples
- (2014) Daniel Cozzolino APPLIED SPECTROSCOPY REVIEWS
- Vibrational Spectroscopy in Clinical Analysis
- (2014) Andrei A. Bunaciu et al. APPLIED SPECTROSCOPY REVIEWS
- PML: A parallel machine learning toolbox for data classification and regression
- (2014) Runyu Jing et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- Single bacteria identification by Raman spectroscopy
- (2014) Samy Andrea Strola et al. JOURNAL OF BIOMEDICAL OPTICS
- Partial least squares discriminant analysis: taking the magic away
- (2014) Richard G. Brereton et al. JOURNAL OF CHEMOMETRICS
- Using Fourier transform IR spectroscopy to analyze biological materials
- (2014) Matthew J Baker et al. Nature Protocols
- Classification tools in chemistry. Part 1: linear models. PLS-DA
- (2013) Davide Ballabio et al. Analytical Methods
- IRootLab: a free and open-source MATLAB toolbox for vibrational biospectroscopy data analysis
- (2013) Júlio Trevisan et al. BIOINFORMATICS
- Near Infrared Spectroscopy (NIRS) as a Tool to Analyze Phenolic Compounds in Plants
- (2013) Lukas K. Bittner et al. Current Analytical Chemistry
- An extensive study on Raman spectra of water from 253 to 753K at 30MPa: A new insight into structure of water
- (2013) Qingcheng Hu et al. JOURNAL OF MOLECULAR SPECTROSCOPY
- SAISIR: A new general chemometric toolbox
- (2013) Christophe B.Y. Cordella et al. TRAC-TRENDS IN ANALYTICAL CHEMISTRY
- MultiDA: Chemometric software for multivariate data analysis based on Matlab
- (2012) Qianxu Yang et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- Recent Advances in Raman Analysis of Plants: Alkaloids, Carotenoids, and Polyacetylenes
- (2012) Malgorzata Baranska et al. Current Analytical Chemistry
- Discrimination between authentic and counterfeit banknotes using Raman spectroscopy and PLS-DA with uncertainty estimation
- (2012) Mariana R. de Almeida et al. MICROCHEMICAL JOURNAL
- The successive projections algorithm
- (2012) Sófacles Figueredo Carreiro Soares et al. TRAC-TRENDS IN ANALYTICAL CHEMISTRY
- LIBSVM
- (2012) Chih-Chung Chang et al. ACM Transactions on Intelligent Systems and Technology
- Biospectroscopy to metabolically profile biomolecular structure: a multistage approach linking computational analysis with biomarkers
- (2011) Jemma G. Kelly et al. JOURNAL OF PROTEOME RESEARCH
- Robust statistics for outlier detection
- (2011) Peter J. Rousseeuw et al. Wiley Interdisciplinary Reviews-Data Mining and Knowledge Discovery
- Cohen’s kappa is a weighted average
- (2011) Matthijs J. Warrens Statistical Methodology
- Syrian hamster embryo (SHE) assay (pH 6.7) coupled with infrared spectroscopy and chemometrics towards toxicological assessment
- (2010) Júlio Trevisan et al. ANALYST
- Mid-Infrared Spectroscopy Coupled with Chemometrics: A Tool for the Analysis of Intact Food Systems and the Exploration of Their Molecular Structure−Quality Relationships − A Review
- (2010) Romdhane Karoui et al. CHEMICAL REVIEWS
- An integrated software system for processing, analyzing, and classifying Raman spectra
- (2010) Luke A. Reisner et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- Distinguishing cell types or populations based on the computational analysis of their infrared spectra
- (2010) Francis L Martin et al. Nature Protocols
- Resonant Mie scattering in infrared spectroscopy of biological materials – understanding the ‘dispersion artefact’
- (2009) Paul Bassan et al. ANALYST
- Resonant Mie Scattering (RMieS) correction of infrared spectra from highly scattering biological samples
- (2009) Paul Bassan et al. ANALYST
- Support Vector Machines for classification and regression
- (2009) Richard G. Brereton et al. ANALYST
- Digital Dewaxing of Raman Signals: Discrimination between Nevi and Melanoma Spectra Obtained from Paraffin-Embedded Skin Biopsies
- (2009) Ali Tfayli et al. APPLIED SPECTROSCOPY
- Classification Methods in Chemometrics
- (2009) Federico Marini Current Analytical Chemistry
- Critical factors limiting the interpretation of regression vectors in multivariate calibration
- (2009) Christopher D. Brown et al. TRAC-TRENDS IN ANALYTICAL CHEMISTRY
- Fourier Transform Infrared (FTIR) Spectroscopy of Biological Tissues
- (2008) Zanyar Movasaghi et al. APPLIED SPECTROSCOPY REVIEWS
- The Biodata toolbox for MATLAB
- (2008) K. De Gussem et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- Calculation of the reliability of classification in discriminant partial least-squares binary classification
- (2008) Néstor F. Pérez et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- Comparison of performance of five common classifiers represented as boundary methods: Euclidean Distance to Centroids, Linear Discriminant Analysis, Quadratic Discriminant Analysis, Learning Vector Quantization and Support Vector Machines, as dependent on data structure
- (2008) Sarah J. Dixon et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- Acceptance areas for multivariate classification derived by projection methods
- (2008) Alexey L. Pomerantsev JOURNAL OF CHEMOMETRICS
- ParLeS: Software for chemometric analysis of spectroscopic data
- (2007) Raphael A. Viscarra Rossel CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- Artificial neural networks in chemometrics: History, examples and perspectives
- (2007) F. Marini et al. MICROCHEMICAL JOURNAL
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