Applications of polydimethylsiloxane in analytical chemistry: A review
S Seethapathy, T Gorecki - Analytica chimica acta, 2012 - Elsevier
Silicones have innumerable applications in many areas of life. Polydimethylsiloxane
(PDMS), which belongs to the class of silicones, has been extensively used in the field of …
(PDMS), which belongs to the class of silicones, has been extensively used in the field of …
Comparison of chemometric problems in food analysis using non-linear methods
WFC Rocha, CB Prado, N Blonder - Molecules, 2020 - mdpi.com
Food analysis is a challenging analytical problem, often addressed using sophisticated
laboratory methods that produce large data sets. Linear and non-linear multivariate methods …
laboratory methods that produce large data sets. Linear and non-linear multivariate methods …
Quantitative structure–retention relationship models to support nontarget high-resolution mass spectrometric screening of emerging contaminants in environmental …
R Aalizadeh, NS Thomaidis, AA Bletsou… - Journal of Chemical …, 2016 - ACS Publications
Over the past decade, the application of liquid chromatography-high resolution mass
spectroscopy (LC-HRMS) has been growing extensively due to its ability to analyze a wide …
spectroscopy (LC-HRMS) has been growing extensively due to its ability to analyze a wide …
Application of genetic algorithm-support vector machine (GA-SVM) for prediction of BK-channels activity
The support vector machine (SVM), which is a novel algorithm from the machine learning
community, was used to develop quantitative structure–activity relationship (QSAR) for BK …
community, was used to develop quantitative structure–activity relationship (QSAR) for BK …
A support vector regression model for the prediction of total polyaromatic hydrocarbons in soil: an artificial intelligent system for mapping environmental pollution
The significance of total polyaromatic hydrocarbons (TPAH) determination in assessing the
carcinogenicity of environmental samples for measuring the level of environmental pollution …
carcinogenicity of environmental samples for measuring the level of environmental pollution …
Facile chemical synthesis and structure characterization of copper molybdate nanoparticles
M Rahimi-Nasrabadi, SM Pourmortazavi… - Journal of Molecular …, 2015 - Elsevier
Experimental parameters of a synthesis route were optimized by Taguchi robust design for
the facile and controllable synthesis of copper molybdate nanoparticles. CuMoO 4 …
the facile and controllable synthesis of copper molybdate nanoparticles. CuMoO 4 …
Machine Learning Analyses on Data including Essential Oil Chemical Composition and In Vitro Experimental Antibiofilm Activities against Staphylococcus Species
A Patsilinakos, M Artini, R Papa, M Sabatino… - Molecules, 2019 - mdpi.com
Biofilm resistance to antimicrobials is a complex phenomenon, driven not only by genetic
mutation induced resistance, but also by means of increased microbial cell density that …
mutation induced resistance, but also by means of increased microbial cell density that …
QSAR study of VEGFR-2 inhibitors by using genetic algorithm-multiple linear regressions (GA-MLR) and genetic algorithm-support vector machine (GA-SVM): a …
M Nekoei, M Mohammadhosseini… - Medicinal Chemistry …, 2015 - Springer
The quantitative structure–activity relationship (QSAR) of the novel 4-aminopyrimidine-5-
carbaldehyde oxime derivatives as effective and selective inhibitors of potent VEGFR-2 was …
carbaldehyde oxime derivatives as effective and selective inhibitors of potent VEGFR-2 was …
Prediction models with multiple machine learning algorithms for POPs: The calculation of PDMS-air partition coefficient from molecular descriptor
T Zhu, C Tao - Journal of Hazardous Materials, 2022 - Elsevier
Polydimethylsiloxane-air partition coefficient (K PDMS-air) is a key parameter for passive
sampling to measure POPs concentrations. In this study, 13 QSPR models were developed …
sampling to measure POPs concentrations. In this study, 13 QSPR models were developed …
[HTML][HTML] QSAR modeling of antimalarial activity of urea derivatives using genetic algorithm–multiple linear regressions
A Beheshti, E Pourbasheer, M Nekoei… - Journal of Saudi Chemical …, 2016 - Elsevier
A quantitative structure–activity relationship (QSAR) was performed to analyze antimalarial
activities of 68 urea derivatives using multiple linear regressions (MLR). QSAR analyses …
activities of 68 urea derivatives using multiple linear regressions (MLR). QSAR analyses …