Modern data science for analytical chemical data–A comprehensive review

E Szymańska - Analytica chimica acta, 2018 - Elsevier
Efficient and reliable analysis of chemical analytical data is a great challenge due to the
increase in data size, variety and velocity. New methodologies, approaches and methods …

Prediction of soil organic carbon content by diffuse reflectance spectroscopy using a local partial least square regression approach

M Nocita, A Stevens, G Toth, P Panagos… - Soil Biology and …, 2014 - Elsevier
Due to the large spatial variation of soil organic carbon (SOC) content, assessing the current
state of SOC for large areas is costly and time consuming. Visible and Near Infrared Diffuse …

Chemometric methods in analytical spectroscopy technology

Y Huang - Chemometric Methods in Analytical Spectroscopy …, 2022 - Springer
In recent decades, with the rapid development of artificial intelligence, data mining, and
cloud computing, new chemometric methods have sprung up and become one of the fastest …

[图书][B] Handbook of near-infrared analysis

EW Ciurczak, B Igne, J Workman Jr, DA Burns - 2021 - books.google.com
Rapid, inexpensive, and easy-to-deploy, near-infrared (NIR) spectroscopy can be used to
analyze samples of virtually any composition, origin, and condition. The Handbook of Near …

An evaluation of different NIR-spectral pre-treatments to derive the soil parameters C and N of a humus-clay-rich soil

K Heil, U Schmidhalter - Sensors, 2021 - mdpi.com
Near-infrared reflectance spectroscopy (NIRS) was successfully used in this study to
measure soil properties, mainly C and N, requiring spectral pre-treatments. Calculations in …

Predicting soil texture using image analysis

PA de Oliveira Morais, DM de Souza… - Microchemical …, 2019 - Elsevier
Laboratory analysis of soil texture is laborious and not environmentally friendly. After
sampling, another 56 h are required for the final report and the laboratory procedure …

Optimization criteria in sample selection step of local regression for quantitative analysis of large soil NIRS database

F Gogé, R Joffre, C Jolivet, I Ross, L Ranjard - Chemometrics and Intelligent …, 2012 - Elsevier
Large soil spectral libraries compiling thousands of NIR (Near Infrared) reflectance spectra
have been created encompassing a wide diversity and heterogeneity of spectra. Among the …

Development and validation of a chemometric method for direct determination of hydrochlorothiazide in pharmaceutical samples by diffuse reflectance near infrared …

MH Ferreira, JWB Braga, MM Sena - Microchemical Journal, 2013 - Elsevier
This work developed and validated a new multivariate diffuse reflectance near infrared
method for direct determination of hydrochlorothiazide in powder pharmaceutical samples …

Calibration model transfer in mid-infrared process analysis with in situ attenuated total reflectance immersion probes

AJ Parrott, AC McIntyre, M Holden, G Colquhoun… - Analytical …, 2022 - pubs.rsc.org
Process applications of mid-infrared (MIR) spectrometry may involve replacement of the
spectrometer and/or measurement probe, which generally requires a calibration transfer …

Applicability domain based on ensemble learning in classification and regression analyses

H Kaneko, K Funatsu - Journal of chemical information and …, 2014 - ACS Publications
We discuss applicability domains (ADs) based on ensemble learning in classification and
regression analyses. In regression analysis, the AD can be appropriately set, although …