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Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 55 for “"partial least squares regression"”.
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2d quantitative structure activity relationship modeling of methylphenidate analogues using algorithm and partial least square regression
… of molecular conformation. A genetic algorithm - partial least squares (GA-PLS) approach was used to identify the molecular descriptors that correlate to the biological activity (binding affinity) of a set of 80 methylphenidate analogues and to construct a predictive model. The GA code was …
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Fast Identification of Components Commonly Used in Homemade Explosives by Spectroscopic and Chemometric Methods
… such as principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) for qualitative discrimination and classification of common fuel sources and inorganic salts used as oxidants. Additional quantification research was performed to determine limits of detection for …
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Laser scanning aggregates for real-time property identification
… plasma. Predictive models are generated via Partial Least Squares Regression Analysis.
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Rapid Assessment of Quality Parameters in Processing Tomatoes using Handheld and Bench-top Infrared Spectrometers and Multivariate Analysis
… the FT-IR crystal (15-40¿¿L) to obtain spectra. Partial least squares regression (PLSR) was used to generate correlation models, both calibration and validation, between the component concentration and the sample spectra. The PLS validation models showed good ability in estimating the sugars, …
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Multivariate studies of receptor tyrosine kinase function in cancer
… signals and cellular phenotypes (using linear regression, partial least squares regression, and feature selection methods). From a biological perspective, this thesis has studied signaling between RTKs, signaling and cell migration downstream of RTKs in epithelial versus mesenchymal cell …
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Quantitative analysis of TLR-4-mediated cell responses in murine macrophages
… models. Particularly, we found that the partial least squares regression (PLSR) models built using the ratio of phosphorylated Jun N-terminal kinase (JNK) and extracellular signal regulated kinase (ERK) predicted LPS plus SB202190-induced apoptosis accurately even following perturbation …
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Modeling the Fourier transform near infrared spectra of unreacted starch in corn for monitoring applications
… at the temperatures used in this study. Partial least squares regression models for blends of native and resistant starches and ground corn, dried and un-dried, were created with RPD values of 7.28, 2.07, and 2.16, respectively, which may be used for rough screening of blends and flours.
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Towards Refinement for Measuring Subcutaneously Transplanted Tumour Models in Mice
… features using the VGG-Face model and conducting partial least squares regression (error of 0.1). This work has successfully demonstrated that with computational methods the volume of subcutaneous tumours can be evaluated through non-invasive digital imaging without need to have contact with the …
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Applying secondary ion mass spectrometry to cellular and model membranes to image component distribution and quantify composition
… analysis (MVA). TOF-SIMS and the MVA method partial least squares discriminant analysis (PLS-DA) was used to identify the differentiation stage of hematopoietic cells. Since TOF-SIMS is a location-specific technique, it can be used to investigate how varying chemical and material environments …
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Predicting Spatial Variability of Soil Organic Carbon in Delmarva Bays
… Model (GAM) non-penalized, GAM cubic splice, and partial least-squares regression. Carbon stocks varied widely, 50 to 219 Mg/ha, with the average around 93 Mg/ha. Topography shared a weak relationship to SOC with most attributes showing a correlation coefficient less than 0.3. GLM ridge and both …
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NIR hyperspectral imaging for animal feed ingredient applications
… two NIR instruments in most of the wavelengths. Regression coefficients from soybean meal protein model calibration highlighted the similarities in the contributing variables of the three instruments. In our second study, lysine concentration was determined in soybean meal and dried distillers’ …
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Investigation of a solvent-free continuous process to produce pharmaceutical co-crystals. Understanding and developing solvent-free continuous cocrystallisation (SFCC) through study of co-crystal formation under the application of heat, model shear and twin screw extrusion, including development of a near infrared spectroscopy partial least squares quantification method
… Finally, NIR spectroscopy was used to create two partial least squares regression models, for predicting the 1:1 co-crystal yield of ibuprofen – nicotinamide and carbamazepine – nicotinamide, when in a powder mixture with the respective pure API. It is believed that the prediction models created …
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Hyperspectral Imaging for Evaluation of Herring Stocks caught around Iceland
… these samples, 54 were NSSH and 26 were ISSH. Partial Least Squares Discriminant Analysis (PLS-DA) was utilized for the stock classification. The water content of the fish was predicted through the Partial Least Squares Regression (PLS-R) of the spectral data, compared to traditional analytical …
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Light Scattering Spectroscopy of Tissue Phantoms for Applications in Biomedical Sciences
… and density is necessary in this environment. A partial least squares regression algorithm was able to predict the lipid content to ±6.87%, enabling an accurate refractive index prediction. This will enable quantitative Brillouin microscopy measurements in more diverse environments, opening the …
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Metabolic differentiation in the lichen Cladonia portentosa from different wet nitrogen deposition regimes’
… with principal component<br/>analysis (PCA) and partial least squares regression analysis (PLSR). The latter<br/>statistical method was used to correlate measured variables with modelled<br/>atmospheric data including wet nitrogen deposition, nitrogen concentration and precipitation. While FTIR …
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Mantle Heterogeneity Through Mid-Ocean Ridge Basalts
… methods like principal component analysis and partial least squares regression were used to decipher the isotopic compositions of Mid-Atlantic Ridge (MAR) basalts. These analyses reveal five distinct "zoo" signatures (akin to EMI, EMII, DM, HIMU, FOZO) in the mantle components and surprisingly, …
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Aplicación de técnicas quimiométricas a la resolución de señales electroquímicas solapadas
… multivariate calibration methods: Multilinear Regression (MLR), Partial-Least Squares Regression (PLS) and Principal Component Regression (PCR).The chemometric methodology developed has been applied to certain electrochemical systems of different complexity: the first one, inorganic, …
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The construction of a partial least squares biplot
… of data. Another possible employment is in Partial Least Squares (PLS). First introduced as a regression method, PLS is more flexible than multivariate regression, but better suited than Principal Component Regression (PCR) for the prediction of a set of response variables from a large set …
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Explaining Developer Attitude Toward Using Formalized Commercial Methodologies: Decomposing Perceived Usefulness
… usefulness. The study surveyed 120 developers. Partial least squares regression was used to test the antecedents of developer attitude as well as the hypothesized structure of perceived usefulness. Results indicate that developers will have more favorable attitudes toward methodologies they …
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Toward a Theory of Information System Development Success: Perceptions of Software Development Team Members
… Data was collected and the model tested using partial least squares regression. The findings indicate that software development team members view ISD success as being composed of process quality, functional product quality, non-functional product quality, team member benefits, and team member …
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