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Book Categories |
Preface | iii | |
1. | Quantitative Structure-Activity Relationships (QSAR) | 1 |
1.1. | Introduction | 1 |
1.2. | Regression and Related Methods | 11 |
1.3. | Classification | 42 |
1.4. | Miscellaneous | 61 |
References | 89 | |
2. | Screening Procedures for Discovering Active Compounds | 105 |
2.1. | Introduction | 105 |
2.2. | Formulation of the Problem | 112 |
2.3. | The OC Curve and the Average Sample Number | 114 |
2.4. | Procedures for Limiting Misclassification Errors | 118 |
2.5. | Procedures for Maximizing Benefits Subject to a Constraint | 121 |
2.6. | Procedures for Maximizing Net Financial Benefits | 127 |
References | 136 | |
3. | Allocation of Resources Between Related Screens | 141 |
3.1. | Introduction | 141 |
3.2. | Resource Allocation Between Ordered Screens | 141 |
3.3. | Optimal Sequencing of Screens | 163 |
References | 166 | |
4. | R&D Project Selection Methods | 167 |
4.1. | Introduction | 167 |
4.2. | Checklists and Profile Charts | 179 |
4.3. | Scoring Indices | 186 |
4.4. | Profitability Indices | 191 |
4.5. | Integer and Linear Programming | 200 |
4.6. | Stochastic Programming | 209 |
4.7. | Other Integer and Linear Programming Techniques for Handling Uncertainty | 216 |
4.8. | Dynamic Programming and Nonlinear Models | 220 |
4.9. | RESPRO: An Interactive Model | 229 |
4.10. | Multiobjective Models | 235 |
References | 238 | |
Summary: State of the Art | 247 | |
Index | 251 |
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