Chemometrics for Raman Spectroscopy Harmonization

Review of Existing Standards, Guides, and Practices for Raman Spectroscopy

(2022) Afroditi Ntziouni et al.   APPLIED SPECTROSCOPY

Chemometric pre-processing can negatively affect the performance of near-infrared spectroscopy models for fruit quality prediction

(2021) Puneet Mishra et al.   TALANTA

A robust SVM-based approach with feature selection and outliers detection for classification problems

(2021) Marta Baldomero-Naranjo et al.   EXPERT SYSTEMS WITH APPLICATIONS

Study on early rice blast diagnosis based on unpre-processed Raman spectral data

(2020) Xiaoyu Zhao et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

A combined method of cross-correlation and PCA-based outlier algorithm for detecting structural damages on a jacket oil platform under random wave excitations

(2020) Wei Li et al.   APPLIED OCEAN RESEARCH

ISREA: An Efficient Peak-Preserving Baseline Correction Algorithm for Raman Spectra

(2020) Yunnan Xu et al.   APPLIED SPECTROSCOPY

Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory Study

(2020) Shuxia Guo et al.   ANALYTICAL CHEMISTRY

A machine‐learning approach to calibrate generic Raman models for real‐time monitoring of cell culture processes

(2019) Aditya Tulsyan et al.   BIOTECHNOLOGY AND BIOENGINEERING

Low-level LIBS and Raman data fusion in the context of in situ Mars exploration

(2019) Kristin Rammelkamp et al.   JOURNAL OF RAMAN SPECTROSCOPY

Focus on pre-processing step to ensure the clinical transferability of Raman data acquired on lymphocytes in different experimental and instrumental conditions

(2019) M. Féré et al.   VIBRATIONAL SPECTROSCOPY

A calibration transfer methodology for Standardization of Raman instruments with different spectral resolutions using Double Digital Projection Slit

(2019) Qifeng Li et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Raman spectroscopy and chemometrics: A potential universal method for diagnosing cancer

(2019) Nicole M. Ralbovsky et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

An asymmetric fitting function for condensed-phase Raman spectroscopy

(2018) Vitaly I. Korepanov et al.   ANALYST

EMSC Based Model Transfer for Raman Spectroscopy in Biological Applications

(2018) Shuxia Guo et al.   ANALYTICAL CHEMISTRY

Algorithm for optimal denoising of Raman spectra

(2018) Sinead J. Barton et al.   Analytical Methods

Model transfer for Raman-spectroscopy-based bacterial classification

(2018) Shuxia Guo et al.   JOURNAL OF RAMAN SPECTROSCOPY

Improved Baseline Correction Method Based on Polynomial Fitting for Raman Spectroscopy

(2018) Haibing Hu et al.   Photonic Sensors

Automatic morphology-based cubic p-spline fitting methodology for smoothing and baseline-removal of Raman spectra

(2017) Juan José González-Vidal et al.   JOURNAL OF RAMAN SPECTROSCOPY

A fully automated algorithm of baseline correction based on wavelet feature points and segment interpolation

(2017) Fang Qian et al.   OPTICS AND LASER TECHNOLOGY

Towards an improvement of model transferability for Raman spectroscopy in biological applications

(2017) Shuxia Guo et al.   VIBRATIONAL SPECTROSCOPY

Optimization of Raman-spectrum baseline correction in biological application

(2016) Shuxia Guo et al.   ANALYST

Supervised, Unsupervised, and Semi-Supervised Feature Selection: A Review on Gene Selection

(2016) Jun Chin Ang et al.   IEEE-ACM Transactions on Computational Biology and Bioinformatics

Iterative morphological and mollifier-based baseline correction for Raman spectra

(2016) Matthias Koch et al.   JOURNAL OF RAMAN SPECTROSCOPY

FT-Raman and NIR spectroscopy data fusion strategy for multivariate qualitative analysis of food fraud

(2016) Cristina Márquez et al.   TALANTA

Data fusion methodologies for food and beverage authentication and quality assessment – A review

(2015) Eva Borràs et al.   ANALYTICA CHIMICA ACTA

Goldindec: A Novel Algorithm for Raman Spectrum Baseline Correction

(2015) Juntao Liu et al.   APPLIED SPECTROSCOPY

Accurate intensity calibration for low wavenumber (−150 to 150 cm−1) Raman spectroscopy using the pure rotational spectrum of N2

(2015) Hajime Okajima et al.   JOURNAL OF RAMAN SPECTROSCOPY

Local classification: Locally weighted–partial least squares-discriminant analysis (LW–PLS-DA)

(2014) Marta Bevilacqua et al.   ANALYTICA CHIMICA ACTA

Baseline correction for Raman spectra using an improved asymmetric least squares method

(2014) Shixuan He et al.   Analytical Methods

Optimal cross-validation in density estimation with the $L^{2}$-loss

(2014) Alain Celisse   ANNALS OF STATISTICS

Improved methods for fluorescence background subtraction from Raman spectra

(2013) P. J. Cadusch et al.   JOURNAL OF RAMAN SPECTROSCOPY

A consensus modeling approach to update a spectroscopic calibration

(2012) Parviz Shahbazikhah et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Standardization of Raman spectra for transfer of spectral libraries across different instruments

(2011) Jason D. Rodriguez et al.   ANALYST

How to pre-process Raman spectra for reliable and stable models?

(2011) Thomas Bocklitz et al.   ANALYTICA CHIMICA ACTA

Quantitative Evaluation of the Sensitivity of Library-Based Raman Spectral Correlation Methods

(2011) Jason D. Rodriguez et al.   ANALYTICAL CHEMISTRY

Libraries, classifiers, and quantifiers: A comparison of chemometric methods for the analysis of Raman spectra of contaminated pharmaceutical materials

(2011) Connie M. Gryniewicz-Ruzicka et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Spectral unmixing and clustering algorithms for assessment of single cells by Raman microscopic imaging

(2011) Martin Hedegaard et al.   THEORETICAL CHEMISTRY ACCOUNTS

Checking and Improving Calibration of Raman Spectra using Chemometric Approaches

(2011) Thomas Dörfer et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Multi-way based calibration transfer between two Raman spectrometers

(2010) Mohsen Kompany-Zareh et al.   ANALYST

Evaluation of linear discriminant analysis for automated Raman histological mapping of esophageal high-grade dysplasia

(2010) Joanne Hutchings et al.   JOURNAL OF BIOMEDICAL OPTICS

Identification of pharmaceutical tablets by Raman spectroscopy and chemometrics

(2010) Yves Roggo et al.   TALANTA

Calibration Maintenance and Transfer Using Tikhonov Regularization Approaches

(2009) John H. Kalivas et al.   APPLIED SPECTROSCOPY

A comprehensive study of classification methods for medical diagnosis

(2009) Thomas Bocklitz et al.   JOURNAL OF RAMAN SPECTROSCOPY

Sum of ranking differences compares methods or models fairly

(2009) Károly Héberger   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Application of multivariate curve resolution alternating least squares (MCR-ALS) to the quantitative analysis of pharmaceutical and agricultural samples

(2007) T. Azzouz et al.   TALANTA