Results 91 to 100 of about 72,257 (309)
Biotechnology Progress, EarlyView.Abstract Monitoring cell culture is crucial for gaining a deeper understanding of processes and ensuring the production of safe and high‐quality products. The capability to measure in real time several parameters of interest can be achieved with Raman spectroscopy.
Célia Sanchez +6 more
wiley +1 more source
Standardized maximim D-optimal designs for enzyme kineticinhibition models [PDF]
, 2017 Locally optimal designs for nonlinear models require a single set of nominal values for the unknown parameters.An alternative is the maximin approach that allows the user to specify a range of values for each parameter ofinterest.
Chen, Ping-Yang +3 more
core
Clinical Chemistry, 1986 Abstract Chemometrics is broadly defined as the application of mathematical and statistical methods to chemistry. Because the mathematical and statistical aspects of chemistry require measured values, analytical chemists have been at the forefront of the "chemometric revolution." Using the analysis of variance as a paradigm, I present an
openaire +3 more sources
X‐Ray Absorption Studies of Local Structure of Dilute Ionic Species in Molten Salts
Chemistry–Methods, EarlyView.This article reviews the state of the art in the use of X‐ray absorption spectroscopy methods, both experimental and theoretical, for understanding the structure of dopant metal ions in molten salts. Recent strategies, including molecular dynamics simulations and neural network–assisted analysis of X‐ ray absorption spectroscopy as well as chemometrics
Kaifeng Zheng +11 more
wiley +1 more source
"Discrimination of virgin olive oils with different geographical origin: a rapid untargeted chromatographic approach based on volatile compounds" [PDF]
LWT- Food Science and Technology, 2020, 130:109566, 2020 Many studies have shown that the geographic origin is one of the most influencing factors in the choice of olive oil. To avoid misleading, European regulation has established specific rules to report the geographical origin of extra virgin and virgin olive oils on the product label, but an official analytical procedure to verify this information has ...
arxiv
Application of chemometrics techniques to solve environmental issues in Malaysia
Heliyon, 2019 There has been a growing concern on the rising of environmental issues in Malaysia over the last decade. Many environmental studies conducted in this country began to utilise the chemometrics techniques to overcome the limitation in the environmental ...
Nur Zahidah Shafii +6 more
doaj
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
Medicine in Drug Discovery, 2023 Abrocitinib stands as a targeted therapy, functioning as an inhibitor of Janus kinase (JAK) 1. This pharmaceutical advancement has been meticulously crafted to address the challenges of moderate to severe atopic dermatitis (AD), a prevalent skin ailment ...
Daniela Bermeo Grajales +3 more
doaj
Chemistry–Methods, EarlyView.GA: Four‐step process for cannabidiol (CBD) detection in Cannabis sativa extracts. (1) The plant extract is obtained. (2) An electrochemical sensor detects CBD using a screen‐printed electrode. (3) Electrochemical signatures of real samples are recorded, showing current vs. potential curves.
Wanda Cimmino +13 more
wiley +1 more source
A deep learning approach for analyzing the composition of chemometric data [PDF]
arXiv, 2019 We propose novel deep learning based chemometric data analysis technique. We trained L2 regularized sparse autoencoder end-to-end for reducing the size of the feature vector to handle the classic problem of the curse of dimensionality in chemometric data analysis. We introduce a novel technique of automatic selection of nodes inside the hidden layer of
arxiv