Results 51 to 60 of about 18,909 (194)
, 2021 datasetchemometric data analysis challenge has been arranged during the first edition of the “International Workshop on Spectroscopy and Chemometrics”, organized by the Vistamilk SFI Research Centre and held online in April 2021.
Ranzato, Giovanna +13 more
core
Robust Multivariate Methods in Chemometrics
, 2020 This article presents an introduction to robust statistics with applications of a chemometric nature. Following a description of the basic ideas and concepts behind robust statistics, including how robust estimators can be conceived, the article builds ...
Croux, Christophe +7 more
core +1 more source
Food Safety and Health, EarlyView.Biosensors enable rapid, sensitive, and portable detection of pathogens, contaminants, allergens, and food adulteration. Integration with smart packaging, smartphones, IoT, and machine learning supports real‐time monitoring and intelligent decision‐making, whereas microfluidics, biodegradable materials, explainable AI, and blockchain offer pathways ...
Mohima Akther Any +7 more
wiley +1 more source
A comprehensive review on the applications of chemometrics in analytical chemistry
Journal of Applied Pharmaceutical ResearchBackground: This article presents a review of the various applications of chemometrics in analytical chemistry. Chemometrics is essential to analytical chemistry because it provides sophisticated methods for extracting, analyzing, and interpreting ...
Projesh Saha +3 more
doaj +1 more source
Superphanes: Facile and efficient preparation, functionalization and unique properties
Tetrahedron Chem, 2022 Superphanes, compounds in which the two benzene rings clamped parallel on top of each other by six bridges, have been attracting considerable interest because of their structural beauty and symmetry.
Aimin Li +4 more
doaj +1 more source
Chemometrics and Bruce : some fond memories
, 2015 This chapter describes the transformation of a young physical organic chemist (SW, 1964), from a believer in first principles models to a middle-aged chemometrician (SW, 1974) promoting empirical and semiempirical "data driven, soft, analogy" models for ...
Wold, Svante,
core +1 more source
Compositional Data Analysis in Chemometrics
, 2020 This article presents an introduction to the field and methods of compositional data analysis. The basic concepts and ideas are explained, and the approach is motivated from a geometrical perspective.
Filzmoser, Peter +3 more
core +1 more source
Food Safety and Health, EarlyView.Citrus essential oils combine sustainable extraction, AI‐assisted authentication, multi‐omics profiling, antimicrobial activity, and regulatory safety to enhance food quality, detect adulteration, and promote consumer health, and support intelligent, sustainable food systems through innovative industrial applications and circular bioeconomy strategies.
Md. Hassan Bin Nabi +7 more
wiley +1 more source
General (hetero)polyaryl amine synthesis via multicomponent cycloaromatization of amines
Nature Communications(Hetero)polyaryl amines are extensively prevalent in pharmaceuticals, fine chemicals, and materials but the intricate and varied nature of their structures severely restricts their synthesis. Here, we present a selective multicomponent cycloaromatization
Lebin Su +13 more
doaj +1 more source
ADME-Space: a new tool for medicinal chemists to explore ADME properties
Scientific Reports, 2017 We introduce a new chemical space for drugs and drug-like molecules, exclusively based on their in silico ADME behaviour. This ADME-Space is based on self-organizing map (SOM) applied to 26,000 molecules. Twenty accurate QSPR models, describing important
Giovanni Bocci +5 more
doaj +1 more source