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Molecular modeling in synthesis: from statistical methods to quantum chemistry and practical applications
The review gives a retrospective of methods for molecular modeling of the structures, mechanisms of chemical reactions, and properties of organic...
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Optimization of oil recovery from oilseed rape by cold pressing using statistical modeling
Cold pressing is frequently used to produce high-quality vegetable oils, especially from seeds with high oil content, such as rapeseeds. But, it...
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Statistical Models: Propagation of Uncertainty and Monte Carlo Modeling
This chapter presents numerical and statistical methods to support corrosion science analyses. The first section is devoted to Monte Carlo methods...
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Statistical modeling of polyester filament yarn evenness with respect to some melt spinning parameters
This study deals with employing central composite design (CCD) as a design of experiment (DoE) tool for finding an appropriate model representing the...
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Degradation Modeling and Lifetime Evaluation for Organic Anti-Corrosion Coatings Using a Three-Stage Electrochemical Statistical Model
Evaluating the status and lifetime of organic coatings has great significance in structural safety. However, it is quite difficult to evaluate the...
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Statistical approach used to evaluate the performances of different diffusion correlations in modeling Pakistan shale swelling characteristics
One of the leading problems in the oil and gas sector is the swelling of shale formation after the adsorption of water during drilling activity. This...
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Statistical modeling and optimization of heavy metals (Pb and Cd) adsorption from aqueous solution by synthesis of Fe3O4/SiO2/PAM: isotherm, kinetics, and thermodynamic
In this study, magnetic material was synthesized using iron salts, then silicon-specific material was used to gain porosity, straight-chain...
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Statistical analysis of isocratic chromatographic data using Bayesian modeling
Chromatographic retention times are usually modeled considering only one analyte at a time. However, it has certain limitations as no information is...
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Improved laccase production from Pleurotus floridanus using deoiled microalgal biomass: statistical and hybrid swarm-based neural networks modeling approach
Fungal laccases are versatile biocatalyst and occupy a prominent place in various industrial applications due to its broad substrate specificity. The...
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Statistical optimization modeling of organic dye photodegradation process using slag nanocomposite
The photocatalytic activity of three solvothermal prepared steel slag nanocomposites, SSNP-10, SSNP-20, and SSNP-30, was tested in this work for...
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Spatial Statistical “Blind-Approach” Results
This chapter presents the results from the statistical “blind-approach” proposed in Chapter 6 . As...
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From big data to big insights: statistical and bioinformatic approaches for exploring the lipidome
The goal of lipidomic studies is to provide a broad characterization of cellular lipids present and changing in a sample of interest. Recent...
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New statistical framework for interlaboratory evaluation of anti-do** testing results by WADA
The World Anti-do** Agency (WADA) International Standard for Laboratories (ISL), developed as part of the World Anti-Do** Program, requires...
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CPSign: conformal prediction for cheminformatics modeling
Conformal prediction has seen many applications in pharmaceutical science, being able to calibrate outputs of machine learning models and producing...
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Spatial Statistical Analysis: A “Blind-Approach”
Chapter 5 discussed sources of uncertainty identified during metal loss detection and degradation. These...
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Fabrication of Magnetic Chitosan-Benzil Biopolymer with Organoclay for Remazol Brilliant Blue R Dye Removal: a Statistical Modeling and Adsorption Mechanism
In this work, a magnetic cross-linked chitosan-benzil/organoclay/Fe 3 O 4 biocomposite (CHI-BZI/OC/Fe 3 O 4 ) was synthesized as a bio-adsorbent for the...
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Monte Carlo optimization based QSAR modeling, molecular docking studies, and ADMET predictions of compounds with antiMES activity
The paper deals with quantitative structure–activity relationship (QSAR) modeling-based Monte Carlo optimization. The molecular descriptors involve...
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Modeling Polymer Crystallization
We summarize the salient conclusions derived from Langevin dynamics simulations of many flexible polymer molecules undergoing crystallization from...
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Statistical and Mathematical Models in Food Authentication
This chapter summarizes the standard statistical and chemometric procedures (hierarchical cluster analysis, principal component analysis, principal...
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Hydrothermal-Assisted Grafting of Schiff base Chitosan by Salicylaldehyde for Adsorptive Removal of Acidic Dye: Statistical Modeling and Adsorption Mechanism
The present study employed the hydrothermal technique to graft biopolymer chitosan (CHS) with an aromatic aldehyde (salicylaldehyde, SA) for the...
