Results 91 to 100 of about 60,124 (297)
Genetic algorithms in chemometrics
, 2012 This review covers the application of Genetic Algorithms (GAs) in Chemometrics. The first applications of GAs in chemistry date back to the 1970s, and in the last decades, they have been more and more frequently used to solve different kinds of problems,
Riccardo Leardi +3 more
core +1 more source
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
Journal of Chemistry, 2017 Liquid speciation is important for reliable process design and optimization of gas-liquid absorption process. Liquid-phase speciation methods are currently available, although they involve tedious and time-consuming laboratory work. Raman spectroscopy is
Maths Halstensen +3 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
Journal of the Science of Food and Agriculture, EarlyView.Abstract BACKGROUND This study investigated cultivar‐dependent variation in the phytochemical composition of lettuce (Lactuca sativa) using liquid chromatography–tandem mass spectrometry (LC–MS/MS) profiling and high‐performance liquid chromatography (HPLC) quantification, with a focus on enzyme inhibitory activity. RESULTS Significant differences were
Neil Patrick Uy +4 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
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
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Mass Spectrometry Reviews, EarlyView.ABSTRACT Identification of a chemical agent yields insights into its physicochemical properties. By examining the intrinsic characteristics and environment of a compound, information about its history can be gathered. The main objective of authentication/forensic approaches to chemicals is to trace the history of the compound's origin, regardless of ...
Carla Orlandi +6 more
wiley +1 more source
, 2021 Although you may not yet know what we mean by the term chemometrics, you almost certainly make routine use of chemometric techniques in your classes and labs: reporting an average result for several trials of an experiment or creating a calibration curve
Harvey, David T.
core +1 more source
Uma proposta experimental para o ensino de MCR-ALS [PDF]
Química NovaChemometrics has gained significant importance in higher education and the job market, leading to an increasing number of teaching approaches for various chemometric tools.
Nathan S. Perrud +3 more
doaj +2 more sources