Results 71 to 80 of about 18,909 (194)
Rapid Quantification of Fatty Acids in Fish Eggs Through Raman Spectroscopy
Journal of Raman Spectroscopy, EarlyView.Omega‐3 fatty acids (FAs) are important indicators for egg quality. This study uses Raman spectroscopy coupled with chemometrics to develop a rapid and in situ method for predicting FA composition in fish eggs. These findings offer a practical and cost‐effective method for assessing egg FA profiles in aquaculture hatcheries.
Benjamin Panitz +8 more
wiley +1 more source
Advantages of orthogonal inspection in chemometrics
, 2012 The demand for chemometrics tools and concepts to study complex problems in modern biology and medicine has prompted chemometricians to shift their focus away from a traditional emphasis on model predictive capacity toward optimizing information exchange
Pinto, R. C. +2 more
core +1 more source
Journal of Raman Spectroscopy, EarlyView.Calibration models were trained using single‐compound Raman spectra of ethanol and glucose, and then transferred to bioprocess spectra. Preprocessing, optimized to meet a multimetric quality framework, enabled this transfer whilst preserving the characteristic bands and the chemical interpretability of the models.
Gianmarco Luchetti Sfondalmondo +1 more
wiley +1 more source
t-SMILES: a fragment-based molecular representation framework for de novo ligand design
Nature CommunicationsEffective representation of molecules is a crucial factor affecting the performance of artificial intelligence models. This study introduces a flexible, fragment-based, multiscale molecular representation framework called t-SMILES (tree-based SMILES ...
Juan-Ni Wu +5 more
doaj +1 more source
, 2014 Providing an easy explanation of the fundamentals, methods, and applications of chemometrics Acts as a practical guide to multivariate data analysis techniques Explains the methods used in Chemometrics and teaches the reader to perform all relevant ...
Pomerantsev, Alexey L. +1 more
core
Journal of the Science of Food and Agriculture, EarlyView.Abstract Mycotoxins remain a persistent threat to the safety and quality of cereal grains and other agricultural products, and their impact on human health continues to raise global concerns. In many situations, the practices traditionally used to control these toxins are no longer sufficiently effective. They can be costly, difficult to implement on a
Abolfazl Asqardokht‐Aliabadi +2 more
wiley +1 more source
Medical imaging-based companion diagnostics for solid tumors
EngMedicineHeterogeneity within the solid tumor microenvironment contributes to a poor prognosis and limited therapeutic responses. Companion diagnostics (CDx), a clinical technique that gives doctors vital biomarker information to enhance patient outcomes through ...
Rui Yin +6 more
doaj +1 more source
Use of predictive tools for the analysis of bioactive compounds in Crocus sativus L. flowers
Journal of the Science of Food and Agriculture, EarlyView.Abstract BACKGROUND Crocus sativus L. (saffron) flowers have high bioactive potential because of their content of crocins, safranal and phenolic compounds. The development of predictive models based on near‐infrared (NIR) spectroscopy and partial least squares regression to estimate the antioxidant capacity of saffron flower, evaluated using oxygen ...
Manuel Piqueras‐García +4 more
wiley +1 more source
Editorial: Chemometrics group of the analytical division
, 2023 Editorial: Chemometrics group of the analytical ...
Stephen Haswell (13094286)
core
Supplemental Material - Chemometrics for Raman Spectroscopy Harmonization
, 2022 Supplemental Material for Chemometrics for Raman Spectroscopy Harmonization by Bastian Barton, James Thomson, Enrique Lozano Diz, and Raquel Portela in Applied ...
Bastian Barton (1611139) +3 more
core +1 more source