Results 81 to 90 of about 60,124 (297)
Journal of Plant Nutrition and Soil Science, EarlyView.ABSTRACT Background: Pseudo‐independent validation (PIV) using regional datasets is common in visible‐to‐near‐infrared (vis–NIR) and mid‐infrared (MIR) spectroscopy studies and produces accurate predictions but is relevant only to regional‐scale monitoring of known sites.
Svenja Tauber +2 more
wiley +1 more source
CHIMIA, 2001 Chemometrics is a chemical discipline in which mathematical and statistical techniques are applied to design experiments or to analyze chemical data. An important part of chemometrics is modeling, in which one tries to relate two or more characteristics in such a way that the obtained model represents reality as closely as possible.
Estienne, Frederic +2 more
openaire +2 more sources
, 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
Journal of Raman Spectroscopy, EarlyView.This study addresses calibration drift in Raman spectroscopy by transforming 1D spectra into 2D spider plot images processed by pretrained convolutional neural networks. This visualization strategy effectively converts detrimental spectral wavenumber shifts into simple image rotations, allowing the deep learning model to maintain high classification ...
Azadeh Mokari +2 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
Raman Spectroscopy and Generative Variational Autoencoders for Metallurgical Coke Quality Prediction
Journal of Raman Spectroscopy, EarlyView.An integrated soft sensor framework combining standardized Raman spectroscopy, synergy‐vector feature selection, variational autoencoder‐based data augmentation, and regression models (kNN, PLS, and SVR) predicts metallurgical coke quality (CSR and DI).
Pedro Henrique Agrimpio Coutinho +2 more
wiley +1 more source
International Journal of Electrochemical Science, 2014 Polyaniline-Poly (o-methoxyaniline) (PANI-POMAN) composites are synthesized using cyclic voltammetry (CV) methods. Platinum (Pt) and Ruthenium (Ru) bimetal nanoparticles are co-deposited onto the PANI-POMAN film to produce a durable and efficient electro-
Qizhi Dong +4 more
doaj +1 more source
Development of an interfering peptide M1-20 with potent anti-cancer effects by targeting FOXM1
Cell Death and Disease, 2023 Disrupting protein–protein interactions (PPIs) has emerged as a promising strategy for cancer drug development. Interfering peptides disrupting PPIs can be rationally designed based on the structures of natural sequences mediating these interactions ...
Huitong Bu +8 more
doaj +1 more source
Food Research International, 2020 To characterize and differentiate boiled pork from three different pig breeds (Tibetan, Sanmenxia and Duroc × (Landrace × Yorkshire)), the volatile compounds in each were analysed by gas chromatography-olfactometry-mass spectrometry (GC-MS/O) and ...
Dong Han +3 more
semanticscholar +1 more source