Chemometrics: statistics and computer application in anlytical chemistry
Saved in:
| Main Author: | |
|---|---|
| Format: | Book |
| Language: | English |
| Published: |
Weinheim
Wiley-VCH
2007
|
| Edition: | 2., completely rev. and enl. ed. |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | XIV, 328 S. zahlr. graph. Darst. |
| ISBN: | 9783527314188 3527314180 |
Staff View
MARC
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Record in the Search Index
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|---|---|
| adam_text | Contents
1 What is Chemometrics? 1
1.1 The Computer based Laboratory 2
1.2 Statistics and Data Interpretation 9
1.3 Computer based Information Systems/
Artificial Intelligence 10
1.4 General Reading 11
2 Basic Statistics 13
2.1 Descriptive Statistics 14
2.2 Statistical Tests 25
2.3 Analysis of Variance 41
2.4 General Reading 48
3 Signal Processing and Time Series Analysis 51
3.1 Signal Processing 51
3.2 Times Series Analysis 75
3.3 General Reading 81
4 Optimization and Experimental Design 83
4.1 Objective Functions and Factors 85
4.2 Experimental Designs and Response Surface Methods 92
4.2.1 Fundamentals 92
4.2.2 Two level designs: screening designs 95
4.2.3 Three level designs: response surface designs 103
4.3 Sequential Optimization: Simplex Method 113
4.4 General Reading 119
5 Pattern Recognition and Classification 121
5.1 Preprocessing of Data 123
5.2 Unsupervised Methods 126
5.2.1 Factorial methods 126
5.2.2 Cluster analysis 154
5.2.3 Graphical methods 164
5.3 Supervised Methods 166
5.3.1 Linear learning machine 166
5.3.2 Discriminant analysis 168
5.3.3 A nearest neighbor method 174
5.3.4 S1MCA 175
5.3.5 Support vector machines 178
5.4 General Reading 181
6 Modeling 183
6.1 Univariate Linear Regression 184
6.2 Multiple Linear Regression 199
6.2.1 Ordinary test squares regression 200
6.2.2 Biased parameter estimations: PCR and PLS 203
6.2.3 Applications for multicomponent analysis 207
6.2.4 Regression diagnostics 214
6.2.5 Multiway regression (modeling) 223
6.3 Nonlinear Methods 224
6.3.1 Nonlinear regression analysis 225
6.3.2 Nonparametric methods 229
6.4 General Reading 234
7 Analytical Databases 237
7.1 Representation of Analytical Information 238
7.2 Library Search 246
7.3 General Reading 252
8 Knowledge Processing and Soft Computing 253
8.1 Artificial Intelligence and Expert Systems 253
8.2 Neural Networks 261
8.3 Fuzzy Theory 275
8.4 Genetic Algorithms and Other Global Search
Strategies 284
8.5 General Reading 292
9 Quality Assurance and
Good Laboratory Practice 295
9.1 Validation and Quality Control 295
9.2 Accreditation and Good Laboratory Practice 300
9.3 General Reading 301
Appendix 303
Statistical distributions 303
Digital filters 309
Experimental designs 311
Matrix algebra 316
Software 320
Index 321
|
| adam_txt |
Contents
1 What is Chemometrics? 1
1.1 The Computer based Laboratory 2
1.2 Statistics and Data Interpretation 9
1.3 Computer based Information Systems/
Artificial Intelligence 10
1.4 General Reading 11
2 Basic Statistics 13
2.1 Descriptive Statistics 14
2.2 Statistical Tests 25
2.3 Analysis of Variance 41
2.4 General Reading 48
3 Signal Processing and Time Series Analysis 51
3.1 Signal Processing 51
3.2 Times Series Analysis 75
3.3 General Reading 81
4 Optimization and Experimental Design 83
4.1 Objective Functions and Factors 85
4.2 Experimental Designs and Response Surface Methods 92
4.2.1 Fundamentals 92
4.2.2 Two level designs: screening designs 95
4.2.3 Three level designs: response surface designs 103
4.3 Sequential Optimization: Simplex Method 113
4.4 General Reading 119
5 Pattern Recognition and Classification 121
5.1 Preprocessing of Data 123
5.2 Unsupervised Methods 126
5.2.1 Factorial methods 126
5.2.2 Cluster analysis 154
5.2.3 Graphical methods 164
5.3 Supervised Methods 166
5.3.1 Linear learning machine 166
5.3.2 Discriminant analysis 168
5.3.3 A nearest neighbor method 174
5.3.4 S1MCA 175
5.3.5 Support vector machines 178
5.4 General Reading 181
6 Modeling 183
6.1 Univariate Linear Regression 184
6.2 Multiple Linear Regression 199
6.2.1 Ordinary test squares regression 200
6.2.2 Biased parameter estimations: PCR and PLS 203
6.2.3 Applications for multicomponent analysis 207
6.2.4 Regression diagnostics 214
6.2.5 Multiway regression (modeling) 223
6.3 Nonlinear Methods 224
6.3.1 Nonlinear regression analysis 225
6.3.2 Nonparametric methods 229
6.4 General Reading 234
7 Analytical Databases 237
7.1 Representation of Analytical Information 238
7.2 Library Search 246
7.3 General Reading 252
8 Knowledge Processing and Soft Computing 253
8.1 Artificial Intelligence and Expert Systems 253
8.2 Neural Networks 261
8.3 Fuzzy Theory 275
8.4 Genetic Algorithms and Other Global Search
Strategies 284
8.5 General Reading 292
9 Quality Assurance and
Good Laboratory Practice 295
9.1 Validation and Quality Control 295
9.2 Accreditation and Good Laboratory Practice 300
9.3 General Reading 301
Appendix 303
Statistical distributions 303
Digital filters 309
Experimental designs 311
Matrix algebra 316
Software 320
Index 321 |
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| dewey-full | 543.0515 543.0285 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 543 - Analytical chemistry |
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| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie Chemie |
| discipline_str_mv | Chemie / Pharmazie Chemie |
| edition | 2., completely rev. and enl. ed. |
| format | Book |
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| id | DE-604.BV022268945 |
| illustrated | Illustrated |
| index_date | 2024-07-02T16:45:30Z |
| indexdate | 2024-07-09T20:53:45Z |
| institution | BVB |
| isbn | 9783527314188 3527314180 |
| language | English |
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| physical | XIV, 328 S. zahlr. graph. Darst. |
| publishDate | 2007 |
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| publisher | Wiley-VCH |
| record_format | marc |
| spelling | Otto, Matthias 1950- Verfasser (DE-588)131905260 aut Chemometrics statistics and computer application in anlytical chemistry Matthias Otto 2., completely rev. and enl. ed. Weinheim Wiley-VCH 2007 XIV, 328 S. zahlr. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Analytische Chemie (DE-588)4129906-1 gnd rswk-swf Chemometrie (DE-588)4299578-4 gnd rswk-swf Chemometrie (DE-588)4299578-4 s Analytische Chemie (DE-588)4129906-1 s 1\p DE-604 Paralle Sprachausgabe deutsch Otto, Matthias Chemometrie HBZ Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=015479466&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Otto, Matthias 1950- Chemometrics statistics and computer application in anlytical chemistry Analytische Chemie (DE-588)4129906-1 gnd Chemometrie (DE-588)4299578-4 gnd |
| subject_GND | (DE-588)4129906-1 (DE-588)4299578-4 |
| title | Chemometrics statistics and computer application in anlytical chemistry |
| title_auth | Chemometrics statistics and computer application in anlytical chemistry |
| title_exact_search | Chemometrics statistics and computer application in anlytical chemistry |
| title_exact_search_txtP | Chemometrics statistics and computer application in anlytical chemistry |
| title_full | Chemometrics statistics and computer application in anlytical chemistry Matthias Otto |
| title_fullStr | Chemometrics statistics and computer application in anlytical chemistry Matthias Otto |
| title_full_unstemmed | Chemometrics statistics and computer application in anlytical chemistry Matthias Otto |
| title_short | Chemometrics |
| title_sort | chemometrics statistics and computer application in anlytical chemistry |
| title_sub | statistics and computer application in anlytical chemistry |
| topic | Analytische Chemie (DE-588)4129906-1 gnd Chemometrie (DE-588)4299578-4 gnd |
| topic_facet | Analytische Chemie Chemometrie |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=015479466&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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