| Abstract | 第1-7页 |
| CHAPTER 1 INTRODUCTION | 第7-12页 |
| ·INTRODUCTION TO SUPPORT VECTOR MACHINES (SVM) | 第7页 |
| ·QUANTITATIVE STRUCTURE & ACTIVITY RELATIONSHIPS (QSAR) | 第7-10页 |
| ·CONSIDERATION ABOUT THIS STUDY | 第10-11页 |
| ·THE SOURCE OF THIS STUDY | 第11-12页 |
| CHAPTER 2 SUPPORT VECTOR MACHINES (SVMS) THEORY | 第12-22页 |
| ·BACKGROUND KNOWLEDGE [1-2] | 第12-17页 |
| ·SUPPORT VECTOR MACHINE REGRESSION (SVR) [1, 15] | 第17-21页 |
| ·PERFORMANCE ESTIMATION OF SVMS | 第21-22页 |
| CHAPTER 3 PREDICTION OF AH RECEPTOR BINDING AFFINITIES FOR POLYCHLORINATED DIBENZO-P-DIOXINS USING A SUPPORT VECTOR MACHINE | 第22-31页 |
| ·EXPERIMENTAL | 第22-25页 |
| ·RESULTS AND DISCUSSION | 第25-29页 |
| ·CONCLUSIONS | 第29-31页 |
| CHAPTER 4 QUANTITATIVE STRUCTURE AND ACTIVITY RELATIONSHIPS STUDY ON THE AH RECEPTOR BINDING AFFINITIES OF POLYBROMINATED DIPHENYL ETHERS USING A SUPPORT VECTOR MACHINE | 第31-40页 |
| ·EXPERIMENTAL | 第32-33页 |
| ·MATERIALS AND METHODS | 第33-34页 |
| ·RESULTS AND DISCUSSIONS | 第34-39页 |
| ·CONCLUSIONS | 第39-40页 |
| CHAPTER 5 THE QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP STUDY ON DIOXINS LIKE TOXICITY OF POLYCHLORINATED NAPHTHALENES USING SUPPORT VECTOR MACHINES | 第40-47页 |
| ·THE DATA FOR ESTABLISHING QSAR MODELS OF PCNS | 第40-42页 |
| ·THE TOOLS FOR ESTABLISHING QSAR MODELS | 第42页 |
| ·RESULTS AND DISCUSSION | 第42-45页 |
| ·CONCLUSIONS | 第45-47页 |
| CHAPTER 6 CONCLUSIONS AND ADVICES | 第47-48页 |
| ·CONCLUSIONS | 第47页 |
| ·ADVICES | 第47-48页 |
| ACKNOWLEDGEMENT | 第48-49页 |
| REFERENCES | 第49-58页 |
| APPENDIX 1 PAPERS PUBLISHED | 第58页 |
