Free download Chemometrics Statistics and Computer Application in Analytical Chemistry By Matthias Otto 3rd Edition

3rd Edition

Authors of: Chemometrics Statistics and Computer Application in Analytical Chemistry By Matthias Otto 3rd Edition

Matthias Otto

Table of Contents in Chemometrics Statistics and Computer Application in Analytical Chemistry By Matthias Otto 3rd Edition

List of Abbreviations VII

Symbols IX

1 What is Chemometrics?  

1.1 The Computer-Based Laboratory  

1.2 Statistics and Data Interpretation  

1.3 Computer-Based Information Systems/Artificial

Intelligence  

General Reading  

Questions and Problems  

2 Basic Statistics  

2.1 Descriptive Statistics  

2.2 Statistical Tests  

2.3 Analysis of Variance  

General Reading  

Questions and Problems  

3 Signal Processing and Time Series Analysis  

3.1 Signal Processing  

3.2 Time Series Analysis  

General Reading  

Questions and Problems  

4 Optimization and Experimental Design  

4.1 Systematic Optimization  

4.2 Objective Functions and Factors  

4.3 Experimental Design and Response Surface

Methods  

4.4 Sequential Optimization: Simplex Method  

General Reading  

Questions and Problems   

5 Pattern Recognition and Classification  

5.1 Preprocessing of Data  

5.2 Unsupervised Methods  

5.3 Supervised Methods  

General Reading  

Questions and Problems  

6 Modeling  

6.1 Univariate Linear Regression  

6.2 Multiple Linear Regression  

6.3 Nonlinear Methods  

General Reading  

Questions and Problems  

7 Analytical Databases  

7.1 Representation of Analytical Information  

7.2 Library Search  

7.3 Simulation of Spectra  

General Reading  

Questions and Problems  

8 Knowledge Processing and Soft Computing  

8.1 Artificial Intelligence and Expert Systems  

8.2 Neural Networks  

8.3 Fuzzy Theory  

8.4 Genetic Algorithms and Other Global Search

Strategies  

General Reading  

Questions and Problems  

9 Quality Assurance and Good Laboratory Practice  

9.1 Validation and Quality Control  

9.2 Accreditation and Good Laboratory Practice  

General Reading  

Questions and Problems  

Appendix  

Index  

List of Abbreviations

ACE alternating conditional expectations

ADC analog-to-digital converter

ANFIS adaptive neuro-fuzzy inference system

ANOVA analysis of variance

CART classification and regression trees

CAS chemical abstracts service

CPU central processing unit

CRF chromatographic response function

DAC digital-to-analog converter

DTW dynamic time warping

DWT discrete wavelet transformation

EPA environmental protection agency

ESI electrospray ionization

FA factor analysis

FFT fast Fourier transformation

FHT fast Hadamard transformation

FT Fourier transformation

GC gas chromatography

HORD hierarchically ordered ring description

HOSE hierarchically ordered spherical description of

environment

HPLC high performance liquid chromatography

HT Hadamard transformation

I/O input/output

ICA independent component analysis

IND indicator function

IR infrared

ISO international standardization organization

JCAMP Joint Committee on Atomic and Molecular Data

KNN k-nearest neighbor method

LAN local area network

LDA linear discriminant analysis

LIMS laboratory information management system

VIII List of Abbreviations

LISP list processing language

LLM linear learning machine

MANOVA multidimensional ANOVA

MARS multivariate adaptive regression splines

MCR multivariate curve resolution

MS mass spectrometry

MSDC mass spectrometry data center

MSS mean sum of squares

NIPALS nonlinear iterative partial least squares

NIR near infrared

NIST National Institute of Standards and Technology

NLR nonlinear regression

NMR nuclear magnetic resonance

NPLS nonlinear partial least squares

N-PLS N-way partial least squares

OLS ordinary least squares

OPLS orthogonal partial least squares

PARAFAC parallel factor analysis

PCA principal component analysis

PCR principal component regression

PLS partial least squares

PRESS predictive residual sum of squares

PROLOG programming in logic

RAM random access memory

RDA regularized discriminant analysis

RE real error

ROM read-only memory

RR recovery rate

RSD relative standard deviation

RSM response surface method

SA simulated annealing

SEC standard error of calibration

SEP standard error of prediction

SIMCA soft independent modeling of class analogies

SMILES simplified molecular input line entry specification

SS sum of squares

SVD singular value decomposition

SVM support vector machines

TS Tabu search

TTFA target transformation factor analysis

UV ultraviolet

VIS visual

VM vector machines

WT wavelet transformation

IX

Symbols

Significance level (risk), separation factor, complexity

parameter

A Area

b Breadth (width), regression parameter

2 Quantile of chi-squared distribution

cov Covariance

C Variance covariance matrix

Error, chemical shift

d Distance measure, test statistic of by

Kolmogorov–Smirnov

D Difference test statistic

Dk Cook’s test statistic

Learning coefficient

e Error

E(.) Expectation value

E Residual matrix

f Degree of freedom, function

f (x) Probability density function

F Quantile of Fisher distribution

F(⋅) Function in frequency space

f (t) Function in the time domain

F Matrix of scores

G Geometric mean

G(⋅) Smoothing function in frequency space

g(t) Smoothing function in the time domain

h Communality

H Harmonic mean

H Hat matrix, Hadamard transformation matrix

H0 Null hypothesis

H1 Alternative hypothesis

H(⋅) Filter function in frequency space

h(t) Filter function in the time domain

I Unit step function

File Size: 9.47 MB. Pages: 386 Please read Disclaimer.

Free download Chemometrics Statistics and Computer Application in Analytical Chemistry By Matthias Otto 3rd Edition

Download Link

You may also like to download “Chemometrics Data Analysis for the Laboratory and Chemical Plant By Richard G. Brereton”.

Free download hundreds of chemistry books in pdf from HERE.

Please Subscribe to our Email list and get notified of our latest uploads (Books, documents) and new updates. Email Subscription Box is provided on the sidebar (for PC) and on the bottom of this post (for Android Devices).

Kindly Like, Follow, and Share our social media pages so that the maximum number of people can benefit from this public service!

Facebook   Instagram    LinkedIn    Twitter    Pinterest

P.S: If the download link(s) is/are not working, kindly drop a comment below, so we’ll update the download link for you.

Happy reading!