Design statistics in pharmacochemistry:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
Taunton, Somerset, England u.a.
Research Studies Press u.a.
1991
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| Schriftenreihe: | Chemometrics series
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| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | XIV, 661 S. |
Internformat
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| 100 | 1 | |a Mager, Peter P. |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a Design statistics in pharmacochemistry |c Peter P. Mager |
| 264 | 1 | |a Taunton, Somerset, England u.a. |b Research Studies Press u.a. |c 1991 | |
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| adam_text | DESIGN STATISTICS IN PHARMACOCHEMISTRY PETER P. MAGER RESEARCH GROUP FOR
PHARMACOCHEMISTRY THE UNIVERSITY OF LEIPZIG, GERMANY RESEARCH STUDIES
PRESS LTD. TAUNTON, SOMERSET, ENGLAND JOHN WILEY & SONS INC. NEW YORK *
CHICHESTER * TORONTO * BRISBANE * SINGAPORE IX CONTENTS PREFACE CHAPTER
1. INTRODUCTORY STATISTICAL REMARKS 1 I. STATISTICAL NOTATIONS 1 A
GLOSSARY 1 B SAMPLING 4 II. STATISTICAL STRATEGY IN PHARMACOCHEMICAL
DESIGNS 6 A EXPERIMENTAL MODEL AND DESIGN 6 B ROBUSTNESS OF PARAMETRIC
STATISTICS 18 III. TRANSFORMATIONS 20 A THE PROBLEM OF RECTIFICATION 20
B THE IMPORTANCE OF TRANSFORMATIONS 22 C TRANSFORMATION OF CONTINUOUSLY
DISTRIBUTED DATA 24 D DISCRETE VARIABLES 32 E SPECIAL TRANSFORMATIONS 36
IV. CONCLUSIONS 43 V. REFERENCES FOR FURTHER READING 43 VI. PROGRAMS FOR
COMPUTER-AIDED DESIGN OF EXPERIMENTS 44 A REGRESSION EXPERIMENTS 44 B
FACTORIAL EXPERIMENTS 44 CHAPTER 2. SIMPLE LINEAR REGRESSION 45 I.
UNDERLYING THEORY 45 A GOAL OF THE ANALYSIS 45 B LAYOUT AND ALGORITHMS
47 C ROBUST REGRESSION 64 II. RELATIONSHIPS AMONG ESTIMATION PROCEDURES
71 IN. EXPERIMENTAL EXAMPLES 73 A PHYSICAL ORGANIC CHEMISTRY 73 B
BIOCHEMISTRY 84 C DRUG-RECEPTOR INTERACTIONS 98 D PHYSIOLOGICAL
PHARMACOLOGY 117 IV. CONCLUSIONS 162 V. REFERENCES FOR FURTHER READING
162 CHAPTER 3. SIMULTANEOUS STATISTICAL INFERENCE AND MULTIVARIATE TEST
CRITERIA 163 I. SIMULTANEOUS STATISTICAL INFERENCE 163 A EXPERIMENTAL
ERROR RATE 163 B TRANSITION OFUNIVARIATE TO MULTIVARIATE DESIGN 166 C
QUANTILES OF SIMULTANEOUS TESTS 169 II. MULTIVARIATE TEST CRITERIA 189
IN. CANONICAL VARIABLES 198 IV. GENERALISED MULTIVARIATE DESIGN 200 V.
DECISION-THEORETICAL PARADIGM 203 VI. REFERENCES FOR FURTHER READING 205
CHAPTER 4. MULTIPLE AND MULTIVARIATE REGRESSION ANALYSIS 207 I. LAYOUT
AND ALGORITHMS 207 A EXPERIMENTAL DESIGN 207 B UNDERLYING FORMALISMS 214
C DECISION PROCEDURE 220 D RELATIONSHIPS TO OTHER TECHNIQUES 226 II.
MULTIPLE-REGRESSION ANALYSIS BY EXAMPLE 226 A BIOCHEMISTRY 226 B
PHYSICAL CHEMISTRY 247 C PHARMACOLOGY 271 IN. MULTIVARIATE REGRESSION
ANALYSIS BY EXAMPLE 295 XI A MULTIVARIATE QSAR: ANALYSIS OF A
PSYCHOPHARMACOLOGICAL PROFILE OFPHENOTHIAZINES 295 B GROUPED
OBSERVATIONS OF MEMBRANE-PERTURBING AGENTS: COMPLEX LEAST-SQUARES
ANALYSIS OF VARIANCE 310 C CANONICAL CORRELATION 322 IV. CONCLUSIONS 326
V. REFERENCES FOR FURTHER READING 327 CHAPTER 5. PRINCIPAL-COMPONENT
ANALYSIS 329 I. LAYOUT AND ALGORITHMS 329 A EXPERIMENTAL DESIGN 329 B
UNDERLYING FORMALISMS 333 C DECISION PROCEDURE 337 II.
PRINCIPAL-COMPONENT ANALYSIS BY EXAMPLE 341 A PHARMACOLOGICAL
EXPERIMENTS 341 B MEDICINAL CHEMISTRY 364 C PHYSICAL CHEMISTRY 373 IN.
CONCLUSIONS 376 IV. REFERENCES FOR FURTHER READING 376 CHAPTER 6.
NON-LEAST-SQUARES REGRESSION ANALYSIS 379 I. THE DISCIPLINE-SPECIFIC
PROBLEM OF MULTICOLLINEARITY IN LFER AND QSAR STUDIES 379 A DESCRIPTION
OF THE PROBLEM 379 B CONSEQUENCES OF THE PROBLEM 381 C APPROXIMATE
SOLUTIONS OF THE PROBLEM 382 N. PRINCIPAL-COMPONENT REGRESSION ANALYSIS
383 A LAYOUT AND ALGORITHMS 383 B DECISION PROCEDURE 393 IN.
PRINCIPAL-COMPONENT CORRELATION ANALYSIS 396 IV. PRINCIPAL-COMPONENT
REGRESSION ANALYSIS BY EXAMPLE 397 A PHYSICAL CHEMISTRY 397 B MEDICINAL
CHEMISTRY 413 C AGRICULTURAL CHEMISTRY: PYRETHROID INSECTICIDES 437 V.
CONCLUSIONS AND FURTHER REMARKS 442 VI. REFERENCES FOR FURTHER READING
443 XLL CHAPTER 7. GENERALISED LEAST-SQUARES REGRESSION 445 I. THE
EXPERIMENTAL PROBLEM 445 II. THE REGRESSANDS ARE SUBJECT TO ERROR 445
IN. THE REGRESSORS ARE SUBJECT TO ERROR 446 IV. GENERALISED
LEAST-SQUARES REGRESSION 446 V. REFERENCES FOR FURTHER READING 450
CHAPTER 8. ANALYSIS OF CATEGORIC DATA 451 I. INTRODUCTORY REMARKS 451
II. COMPARISON OF FREQUENCIES 451 A COMPARISON OF TWO FREQUENCIES 451 B
TWO-BY-TWO CONTIGENCY TABLE 453 C MULTICONTIGENCY TABLES 457 IN.
REGRESSION APPLIED TO CATEGORIC DATA 460 IV. DISCRIMINANT ANALYSIS 461 A
GLOBAL TEST 461 B A-PRIORI PROBABILITIES AND COST COEFFICIENTS 462 C
CLASSIFICATION ANALYSIS 465 V. REFERENCES FOR FURTHER READING 466
CHAPTER 9. MULTIVARIATE VARIANCE-DISCRIMINANT- CLASSIFICATION ANALYSIS
467 I. THE EXPERIMENTAL QUESTION 467 II. THE TWO-GROUP CASE 468 A BINARY
REGRESSION IN RELATIONSHIP TO TWO-GROUP LINEAR DISCRIMINANT ANALYSIS 468
B TWO-GROUP VARIANCE-DISCRIMINANT-CLASSIFICATION ANALYSIS 473 C LOGISTIC
DISCRIMINANT FUNCTION 491 M. ONE-WAY LAYOUT OF THE MULTIPLE-GROUP CASE
495 A EXPERIMENTAL DESIGN 495 B UNDERLYING FORMALISMS 499 C DECISION
PROCEDURE 503 D EXPERIMENTAL EXAMPLES 507 IV. TWO-WAY LAYOUT OF THE
MULTIPLE-GROUP CASE 526 A EXPERIMENTAL DESIGN 526 B UNDERLYING
FORMALISMS 529 C DECISION PROCEDURE AND HYPOTHESIS TESTING 535 D TWO-WAY
LAYOUT BY EXAMPLE 537 V. CONCLUSIONS 549 XIII VI. APPENDIX: RELATIONSHIP
BETWEEN CANONICAL-DISCRIMINANT AND CANONICAL-CORRELATION ANALYSIS 550 A
EXPERIMENTAL DESIGN 550 B DATA ANALYSIS 550 C CONCLUSIONS 568 VH.
REFERENCES FOR FURTHER READING 568 CHAPTER 10. TIME-DEPENDENT
COMPARISONS 571 I. INTRODUCTORY REMARKS 571 N. MATCHED-PAIR TEST 571 A
LAYOUT AND ALGORITHMS 571 B EXAMPLE 574 FFL. ONE-GROUP PROFILE ANALYSIS
575 A REPEATED-MEASUREMENT ANALYSIS 575 B TREND ANALYSIS:
VARIANCE-ANALYTICAL DESIGN 583 C TREND ANALYSIS: CURVE-FITTING 588 IV.
PROFILE ANALYSIS OF MULTIPLE GROUPS 594 A VARIANCE ANALYSIS 594 B
POLYNOMIAL REGRESSION 601 C EXAMPLE 604 V. CONCLUSIONS 608 VI.
REFERENCES FOR FURTHER READING 608 CHAPTER 11. ANALYSIS OF HETEROGENEOUS
DATA 609 I. THE ROLE OF HETEROGENEOUS DATA 609 II. PRINCIPLES OF
ANALYSIS OF HETEROGENEOUS DATA 609 A DIFFERENCE MEASURES 609 B
RANDOMISED BLOCK DESIGN 610 C COVARIANCE ANALYSIS 611 HI. COMPLEX
LEAST-SQUARES ANALYSIS OF COVARIANCE 613 A UNDERLYING IDEA 613 B
BIOASSAY EXAMPLE 613 IV. ONE-WAY LAYOUT OF MULTIVARIATE COVARIANCE
ANALYSIS 619 A LAYOUT AND ALGORITHMS, AND DATA ANALYSIS 619 B EXAMPLE
629 C SUPPLEMENTARY REMARKS 634 V. TWO-WAY LAYOUT OF MULTIVARIATE
COVARIANCE ANALYSIS 637 A EXPERIMENTAL DESIGN 637 XIV B UNDERLYING
FORMALISMS 638 C DECISION PROCEDURE 640 VI. CONCLUSIONS 642 VH.
REFERENCES FOR FURTHER READING 643 CHAPTER 12. MULTIVARIATE STRATEGY IN
PHARMACOCHEMISTRY 645 CHAPTER 13. APPENDIX: SOURCES OF DATA USED 649
GLOSSARY OF SYMBOLS 653 INDEX 657
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| spelling | Mager, Peter P. Verfasser aut Design statistics in pharmacochemistry Peter P. Mager Taunton, Somerset, England u.a. Research Studies Press u.a. 1991 XIV, 661 S. txt rdacontent n rdamedia nc rdacarrier Chemometrics series Chemistry, Pharmaceutical Drug Design Drugs Design Statistical methods Pharmaceutical chemistry Statistical methods Statistics as Topic GBV Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=003418252&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Mager, Peter P. Design statistics in pharmacochemistry Chemistry, Pharmaceutical Drug Design Drugs Design Statistical methods Pharmaceutical chemistry Statistical methods Statistics as Topic |
| title | Design statistics in pharmacochemistry |
| title_auth | Design statistics in pharmacochemistry |
| title_exact_search | Design statistics in pharmacochemistry |
| title_full | Design statistics in pharmacochemistry Peter P. Mager |
| title_fullStr | Design statistics in pharmacochemistry Peter P. Mager |
| title_full_unstemmed | Design statistics in pharmacochemistry Peter P. Mager |
| title_short | Design statistics in pharmacochemistry |
| title_sort | design statistics in pharmacochemistry |
| topic | Chemistry, Pharmaceutical Drug Design Drugs Design Statistical methods Pharmaceutical chemistry Statistical methods Statistics as Topic |
| topic_facet | Chemistry, Pharmaceutical Drug Design Drugs Design Statistical methods Pharmaceutical chemistry Statistical methods Statistics as Topic |
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