MULTIVARIATE DATA ANALYSIS TOOLS in .NET framework

Encoder PDF-417 2d barcode in .NET framework MULTIVARIATE DATA ANALYSIS TOOLS
MULTIVARIATE DATA ANALYSIS TOOLS
Recognize PDF 417 In VS .NET
Using Barcode Control SDK for Visual Studio .NET Control to generate, create, read, scan barcode image in Visual Studio .NET applications.
Multivariate data analysis in combinatorial screening involves three categories of multivariate data sources. The rst category includes all types of measurement systems that generate multivariate data for a combinatorial sample. The second category includes univariate data from samples in com-
PDF 417 Creator In .NET Framework
Using Barcode printer for .NET Control to generate, create PDF-417 2d barcode image in .NET applications.
multivariate tools for real-time monitoring
Reading PDF417 In Visual Studio .NET
Using Barcode decoder for .NET Control to read, scan read, scan image in .NET framework applications.
binatorial libraries that are analyzed with respect to multiple parameters (starting components, process conditions, etc.). The third category is the combination of the rst two categories, as the multivariate measurement data from each combinatorial sample is further analyzed with respect to multiple parameters. Massive data generated in the reaction monitoring and optimization leads to the need for effective data analysis and interpretation to identify the trends and relationships in the data.48 Advanced mathematical and statistical chemometric techniques are used in combinatorial and highthroughput screening to determine, often by indirect means, the properties of substances that otherwise would be very dif cult to measure directly.65,66 In combinatorial and high-throughput screening, chemometrics has been successfully applied for visualization and pattern recognition,20,67 lead identi cation and optimization,68,69 library design,70,71 process optimization,72,73 and development of predictive models and quantitative structure-activity relationships (QSARs) and quantitative structure-property relationships (QSPRs).67,70 The implementation of multivariate calibration improves analysis selectivity when spectroscopic or any other types of measurements are performed with relatively nonselective or low-resolution instruments.60,74 In combinatorial materials science, pattern recognition techniques are used to nd similarities and differences between samples of combinatorial libraries, and they serve as a powerful visualization tool and can warn of the occurrence of abnormalities in the measured data.20 The correlated patterns revealed in large data sets by these techniques can determine the structural relationships among screening hits and can signi cantly reduce data dimensionality to make the database more manageable. Methods of pattern recognition include principal components analysis (PCA), hierarchical cluster analysis (HCA), soft independent modeling of class analogies (SIMCA), and neural networks, among some others.75,76 Multivariate calibration methods offer several advantages over univariate calibration methods.77,78 Signal averaging is achieved, since more than one measurement channel is employed in the analysis. Also concentrations of multiple species may be measured if they are present in the calibration samples. A calibration model is built by using responses from calibration standards. The analysis of unknown samples will suffer if a species is present in the sample that is not accounted for in the calibration model. This is mitigated somewhat by the ability to detect whether a sample is an outlier from the calibration set. Multivariate calibration approaches permit selective quantitation of several analytes of interest in complex combinatorial libraries using low-resolution instruments when overlapping responses from different species preclude the use of univariate analysis. Quantitative
Bar Code Drawer In .NET
Using Barcode maker for VS .NET Control to generate, create bar code image in .NET applications.
application examples
Recognizing Barcode In .NET
Using Barcode scanner for .NET framework Control to read, scan read, scan image in .NET framework applications.
analysis is often performed using linear and nonlinear multivariate calibration methods such as partial least-squares (PLS),27 locally weighted regression (LWR),74 and others. Multivariate measurement and data analysis tools has been shown to be an essential analytical tool for the monitoring of solid phase organic synthesis and other types of reactions. In particular, the attractiveness of PLS method has been demonstrated for in situ monitoring of combinatorial reactions using single-bead FTIR spectroscopy.27 Using these tools, quantitative and qualitative analyses of combinatorial samples were performed with IR spectra containing severely overlapped bands. This analysis was possible because the primary loading factor in PLS analysis displays only spectral features that have undergone changes during a reaction. Disappearing and emerging organic functional groups generate negative and positive signals in the primary loading factor, allowing enhanced qualitative analysis of the reaction. The scores of the primary factors of spectra taken at various times during a reaction provide quantitative information and allowed the study of the reaction kinetics directly on solid support. A limitation of PLS method is that while it does reveal the changes due to reaction, it cannot provide spectra for pure component.27 This limitation can be overcome by using other multivariate analysis tools such as evolving factor analysis79,80 and multivariate curve resolution methods.81,82 Section 5.4 demonstrates the use of these multivariate tools.
PDF-417 2d Barcode Generator In Visual C#.NET
Using Barcode generator for VS .NET Control to generate, create PDF-417 2d barcode image in .NET framework applications.
Printing PDF 417 In Visual Studio .NET
Using Barcode encoder for ASP.NET Control to generate, create PDF 417 image in ASP.NET applications.
UCC.EAN - 128 Drawer In VS .NET
Using Barcode encoder for .NET framework Control to generate, create EAN 128 image in .NET framework applications.
Paint Code 128B In .NET Framework
Using Barcode generator for .NET Control to generate, create USS Code 128 image in .NET framework applications.
Barcode Creation In .NET
Using Barcode generation for ASP.NET Control to generate, create bar code image in ASP.NET applications.
Reading Code 128 In .NET Framework
Using Barcode reader for Visual Studio .NET Control to read, scan read, scan image in Visual Studio .NET applications.
Bar Code Maker In VB.NET
Using Barcode creator for .NET framework Control to generate, create bar code image in Visual Studio .NET applications.
Encoding Barcode In Visual Studio .NET
Using Barcode printer for ASP.NET Control to generate, create bar code image in ASP.NET applications.