Classical and adaptive clinical trial designs using ExpDesign Studio [trademark symbol] [[electronic resource] /] / Mark Chang
| Classical and adaptive clinical trial designs using ExpDesign Studio [trademark symbol] [[electronic resource] /] / Mark Chang |
| Autore | Chang Mark |
| Pubbl/distr/stampa | Hoboken, N.J., : John Wiley, c2008 |
| Descrizione fisica | 1 online resource (280 p.) |
| Disciplina |
615.50724
615/.190113 |
| Soggetto topico |
Drugs - Testing - Computer simulation
Adaptive sampling (Statistics) Clinical trials - Data processing |
| ISBN |
0-470-43856-8
1-281-73255-9 9786611732554 0-470-36871-3 0-470-36997-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | ExpDesign Studio -- Clinical trial design -- Classical trial design -- Group sequential trial design -- Adaptive trial design -- Adaptive trial monitoring -- Oncology adaptive trial design -- Adaptive trial simulator -- Further assistance from ExpDesign Studio. |
| Record Nr. | UNINA-9910144137403321 |
Chang Mark
|
||
| Hoboken, N.J., : John Wiley, c2008 | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Classical and adaptive clinical trial designs using ExpDesign Studio [trademark symbol] [[electronic resource] /] / Mark Chang
| Classical and adaptive clinical trial designs using ExpDesign Studio [trademark symbol] [[electronic resource] /] / Mark Chang |
| Autore | Chang Mark |
| Pubbl/distr/stampa | Hoboken, N.J., : John Wiley, c2008 |
| Descrizione fisica | 1 online resource (280 p.) |
| Disciplina |
615.50724
615/.190113 |
| Soggetto topico |
Drugs - Testing - Computer simulation
Adaptive sampling (Statistics) Clinical trials - Data processing |
| ISBN |
0-470-43856-8
1-281-73255-9 9786611732554 0-470-36871-3 0-470-36997-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | ExpDesign Studio -- Clinical trial design -- Classical trial design -- Group sequential trial design -- Adaptive trial design -- Adaptive trial monitoring -- Oncology adaptive trial design -- Adaptive trial simulator -- Further assistance from ExpDesign Studio. |
| Record Nr. | UNINA-9910830515403321 |
Chang Mark
|
||
| Hoboken, N.J., : John Wiley, c2008 | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Classical and adaptive clinical trial designs using ExpDesign Studio [trademark symbol] / / Mark Chang
| Classical and adaptive clinical trial designs using ExpDesign Studio [trademark symbol] / / Mark Chang |
| Autore | Chang Mark |
| Pubbl/distr/stampa | Hoboken, N.J., : John Wiley, c2008 |
| Descrizione fisica | 1 online resource (280 p.) |
| Disciplina |
615.50724
615/.190113 |
| Soggetto topico |
Drugs - Testing - Computer simulation
Adaptive sampling (Statistics) Clinical trials - Data processing |
| ISBN |
9786611732554
9780470438565 0470438568 9781281732552 1281732559 9780470368718 0470368713 9780470369975 0470369973 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | ExpDesign Studio -- Clinical trial design -- Classical trial design -- Group sequential trial design -- Adaptive trial design -- Adaptive trial monitoring -- Oncology adaptive trial design -- Adaptive trial simulator -- Further assistance from ExpDesign Studio. |
| Record Nr. | UNINA-9911019780503321 |
Chang Mark
|
||
| Hoboken, N.J., : John Wiley, c2008 | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Dose-response Analysis With R [[electronic resource]]
| Dose-response Analysis With R [[electronic resource]] |
| Autore | Ritz Christian |
| Pubbl/distr/stampa | Chapman & Hall, 2018 |
| Descrizione fisica | 1 online resource (227 pages) |
| Disciplina | 615.1 |
| Altri autori (Persone) |
StreibigJens C
JensenSigne Marie GerhardDaniel |
| Soggetto topico |
Drugs - Dose-response relationship
Drugs - Testing - Computer simulation R (Computer program language) |
| ISBN |
1-351-98104-8
1-351-98103-X 1-315-27009-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910793750303321 |
Ritz Christian
|
||
| Chapman & Hall, 2018 | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Dose-response Analysis With R
| Dose-response Analysis With R |
| Autore | Ritz Christian |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Chapman & Hall, 2018 |
| Descrizione fisica | 1 online resource (227 pages) |
| Disciplina | 615.1 |
| Altri autori (Persone) |
StreibigJens C
JensenSigne Marie GerhardDaniel |
| Soggetto topico |
Drugs - Dose-response relationship
Drugs - Testing - Computer simulation R (Computer program language) |
| ISBN |
1-351-98104-8
1-351-98103-X 1-315-27009-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Cover -- Half Title -- Series Page -- Title Page -- Copyright Page -- Contents -- Preface -- 1. Continuous data -- 1.1 Analysis of single dose-response curves -- 1.1.1 Inhibitory effect of secalonic acid -- 1.1.1.1 Fitting the model -- 1.1.1.2 Estimation of arbitrary ED values -- 1.1.2 Data from a fish test in ecotoxicology -- 1.1.3 Ferulic acid as an herbicide -- 1.1.4 Glyphosate in barley -- 1.1.5 Lower limits for dose-response data -- 1.1.6 A hormesis effect on lettuce growth -- 1.1.7 Nonlinear calibration -- 1.2 Analysis of multiple dose-response curves -- 1.2.1 Effect of an herbicide mixture on Galium aparine -- 1.2.2 Glyphosate and bentazone treatment of Sinapis alba -- 1.2.2.1 A joint dose-response model -- 1.2.2.2 Fitting separate dose-response models -- 2. Binary and binomial dose-response data -- 2.1 Analysis of single dose-response curves -- 2.1.1 Acute inhalation toxicity test -- 2.1.1.1 Link to ordinary logistic regression -- 2.1.2 Tumor incidence -- 2.1.3 Earthworm toxicity test: Abbott's formula -- 2.1.4 Another earthworms toxicity test: Estimating the upper limit -- 2.2 Analysis of multiple dose-response curves -- 2.2.1 Toxicity of fluoranthene under different ultraviolet radiation -- 2.2.2 Toxicity of different types of selenium -- 3. Count dose-response data -- 3.1 Analysis of single dose-response curves -- 3.1.1 Counting number of fronds -- 3.1.2 Counting offspring: Modeling hormesis -- 3.1.3 More counting offspring: Varying observation periods -- 3.2 Analysis of multiple dose-response curves -- 3.2.1 Counting bacteria colonies: Wadley's problem -- 4. Multinomial dose-response data -- 4.1 Trichotomous data -- 4.1.1 Insecticide residues -- 4.1.2 Effect of two arboviruses on chicken embryos -- 5. Time-to-event-response data -- 5.1 Analysis of a single germination curve -- 5.1.1 Germination of Stellaria media seeds.
5.2 Analysis of data from multiple germination curves -- 5.2.1 Time to death of daphnias -- 5.2.1.1 Step 1 -- 5.2.1.2 Step 2 -- 5.2.2 A hierarchical three-way factorial design -- 5.2.2.1 Step 1 -- 5.2.2.2 Step 2 -- 6. Benchmark dose estimation -- 6.1 Binomial dose-response data -- 6.1.1 Pathogens in food -- 6.1.2 Chromosomal damage -- 6.1.3 Tumor incidence continued: Integration of historical data -- 6.2 Continuous dose-response data -- 6.2.1 Toxicity of copper in an ecosystem with giant kelp -- 6.2.2 Toxicity of an antituberculosis drug -- 6.3 Model averaging -- 6.3.1 Pathogens in food revisited -- 6.3.2 Toxicity of an antituberculosis drug revisited -- 7. Hierarchical nonlinear models -- 7.1 Normally distributed dose-response data -- 7.2 The R package medrc -- 7.2.1 In vitro effects of the fungicide vinclozolin -- 7.2.2 Inhibition of photosynthesis in spinach -- 7.2.3 Herbicides with auxin effects -- 7.2.4 Drought stress resistance in Brassica oleracea -- Appendix A: Estimation -- A.1 Nonlinear least squares -- A.2 Maximum likelihood estimation -- A.2.1 Binomial dose-response data -- A.2.2 Count dose-response data -- A.2.2.1 The Poisson distribution -- A.2.2.2 The negative-binomial distribution -- A.2.3 Time-to-event-response data -- A.3 The transform-both-sides approach -- A.4 Robust estimation -- A.5 Sandwich variance estimators -- A.6 Constrained estimation -- A.7 Two-stage estimation for hierarchical models -- A.7.1 Technical replicates -- A.7.2 Two-stage approaches -- A.7.3 Lindstrom-Bates algorithm -- A.8 Starting values and self-starter functions -- A.9 Confidence intervals -- A.10 Prediction and inverse regression -- A.10.1 Effective dose -- A.10.2 Relative potency -- Appendix B: Dose-response model functions -- B.1 Log-logistic models -- B.1.1 Four-parameter log-logistic models -- B.1.1.1 Three-parameter version. B.1.1.2 Two-parameter version -- B.1.1.3 E-max and Michaelis-Menten models -- B.1.2 Extensions -- B.1.2.1 Generalized log-logistic models -- B.1.2.2 A model with two slope parameters -- B.1.2.3 Hormesis models -- B.1.2.4 Two- and three-phase models -- B.1.2.5 Fractional polynomial models -- B.2 Log-normal models -- B.3 Weibull models -- B.3.1 Weibull type 1 models -- B.3.1.1 Exponential decay model -- B.3.1.2 Other special cases -- B.3.2 Weibull type 2 models -- B.3.2.1 Asymptotic regression -- B.3.2.2 Other special cases -- B.3.2.3 Generalized Weibull-2 model -- B.4 Other types of models -- B.4.1 Gamma models -- B.4.2 Multistage models -- B.4.3 NEC -- B.4.4 Biphasic models with a peak -- B.5 Fixing parameters -- Appendix C: R code for plots -- C.1 Continuous dose-response data -- C.1.1 Ferulic acid as an herbicide -- C.2 Estimation of BMD -- C.2.1 Pathogens in food -- C.2.2 Toxicity of an antituberculosis drug -- C.3 Hierarchical nonlinear models -- C.3.1 Inhibition of photosynthesis in spinach -- C.3.2 Herbicides with auxin effects -- C.3.3 Drought stress resistance in Brassica oleracea -- Bibliography -- Index. |
| Record Nr. | UNINA-9910959099003321 |
Ritz Christian
|
||
| Chapman & Hall, 2018 | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Virtual screening for bioactive molecules [[electronic resource] /] / edited by Hans-Joachim Böhm and Gisbert Schneider
| Virtual screening for bioactive molecules [[electronic resource] /] / edited by Hans-Joachim Böhm and Gisbert Schneider |
| Pubbl/distr/stampa | Weinheim ; ; New York, : Wiley-VCH, c2000 |
| Descrizione fisica | 1 online resource (327 p.) |
| Disciplina |
615
615.19 615.1900285 615/.19 |
| Altri autori (Persone) |
BöhmHans-Joachim
SchneiderGisbert <1965-> |
| Collana | Methods and principles in medicinal chemistry |
| Soggetto topico |
Drugs - Design - Computer simulation
Drugs - Testing - Computer simulation |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-282-01035-2
9786612010354 3-527-61308-0 3-527-61309-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Virtual Screening for Bioactive Molecules; Preface; A Personal Foreword; Contents; List of Contributors; Prologue; 1 High-Throughput Screening and Virtual Screening: Entry Points to Drug Discovery; 1.1 Introduction; 1.2 Miniaturization and Detection Strategies; 1.2.1 Screening Plate Format and Fluidics; 1.2.2 Detection Strategies; 1.2.3 Cell-Based Reporter Gene Assays; 1.2.4 Fluorescence Correlation Spectroscopy .; 1.2.5 Microchip Fabrication; 1.2.6 Remarks and Summary; 1.3 Compound Libraries; 1.4 Multi-Dimensional Optimization: Qualifying HTS Lead Candidates; 1.5 Conclusions; References
2 Library Filtering Systems and Prediction of Drug-Like Properties2.1 Introduction; 2.2 Simple Counting Methods to Predict Drug-Likeness; 2.3 Functional Group Filters; 2.4 "Chemistry Space" Methods; 2.5 Examination of Building Blocks in Known Drugs; 2.6 Other Methods; 2.7 Conclusions and Future Directions; References; 3 Prediction of Physicochemical Properties; 3.1 Introduction; 3.2 Prediction of Lipophilicity; 3.2.1 Fragment-Based Methods; 3.2.2 Methods Based on Molecular Properties; 3.2.3 Predictive Ability of Existing Techniques; 3.2.4 Other Solvent Systems; 3.2.5 Effect of Ionization 3.3 Prediction of Solubility3.3.1 Fragmental Approaches; 3.3.2 Property-Based Methods; 3.3.3 Conclusions; 3.4 Prediction of pKa; 3.4.1 Fragment-Based Methods; 3.4.2 Methods Based on Molecular Properties; 3.4.3 Conclusions; 3.5 Prediction of Protein Binding; 3.6 Conclusions; References; 4 Descriptor-Based Similarity Measures for Screening Chemical Databases; 4.1 Introduction; 4.2 Fragment-Based Similarity Searching; 4.3 Association and Distance Coefficients for Similarity Searching; 4.4 Structural Representations for Similarity Searching; 4.4.1 Descriptor Selection; 4.4.2 Descriptor Encoding 4.5 ConclusionsReferences; 5 Modelling Structure-Activity Relationships; 5.1 Introduction; 5.2 Hansch Analysis; 5.3 3-D QSAR; 5.4 Alignment-Free 3-D Descriptors; 5.5 Topological Descriptors; 5.6 Pharmacophores and Pharmacophoric Keys; 5.7 Conclusions; 5.8 Appendix - Statistical Techniques in QSAR and Pattern Recognition; 5.8.1 Data Reduction and Display; 5.8.1.1 Principal Component Analysis; 5.8.1.2 Non-Linear Mapping; 5.8.1.3 Neural Networks; 5.8.2 Regression Techniques; 5.8.2.1 Multiple Linear Regression; 5.8.2.2 Principal Component Regression and Partial Least Squares 5.8.3 Classification Techniques5.8.3.1 Linear Discriminant Analysis; 5.8.3.2 Soft Independent Modelling of Class Analogy; 5.8.3.3 Recursive Partitioning; References; 6 Database Profiling by Neural Networks; 6.1 "Drug-Likeness": A General Compound Property?; 6.2 Methods and Programs; 6.2.1 Databases; 6.2.2 Descriptors; 6.2.3 Classification Tools; 6.2.4 Complete Algorithm; 6.3 Applications; 6.3.1 Drug-Likeness and a Recipe for a Computational Filter; 6.3.2 Crop Protection Compounds; 6.3.3 Virtual High-Throughput Screens; 6.3.4 Optimization of Combinatorial Libraries; 6.4 Conclusions; References 7 Pharmacophore Pattern Application in Virtual Screening. Library Design and QSAR |
| Record Nr. | UNINA-9910144110503321 |
| Weinheim ; ; New York, : Wiley-VCH, c2000 | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Virtual screening for bioactive molecules [[electronic resource] /] / edited by Hans-Joachim Böhm and Gisbert Schneider
| Virtual screening for bioactive molecules [[electronic resource] /] / edited by Hans-Joachim Böhm and Gisbert Schneider |
| Pubbl/distr/stampa | Weinheim ; ; New York, : Wiley-VCH, c2000 |
| Descrizione fisica | 1 online resource (327 p.) |
| Disciplina |
615
615.19 615.1900285 615/.19 |
| Altri autori (Persone) |
BöhmHans-Joachim
SchneiderGisbert <1965-> |
| Collana | Methods and principles in medicinal chemistry |
| Soggetto topico |
Drugs - Design - Computer simulation
Drugs - Testing - Computer simulation |
| ISBN |
1-282-01035-2
9786612010354 3-527-61308-0 3-527-61309-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Virtual Screening for Bioactive Molecules; Preface; A Personal Foreword; Contents; List of Contributors; Prologue; 1 High-Throughput Screening and Virtual Screening: Entry Points to Drug Discovery; 1.1 Introduction; 1.2 Miniaturization and Detection Strategies; 1.2.1 Screening Plate Format and Fluidics; 1.2.2 Detection Strategies; 1.2.3 Cell-Based Reporter Gene Assays; 1.2.4 Fluorescence Correlation Spectroscopy .; 1.2.5 Microchip Fabrication; 1.2.6 Remarks and Summary; 1.3 Compound Libraries; 1.4 Multi-Dimensional Optimization: Qualifying HTS Lead Candidates; 1.5 Conclusions; References
2 Library Filtering Systems and Prediction of Drug-Like Properties2.1 Introduction; 2.2 Simple Counting Methods to Predict Drug-Likeness; 2.3 Functional Group Filters; 2.4 "Chemistry Space" Methods; 2.5 Examination of Building Blocks in Known Drugs; 2.6 Other Methods; 2.7 Conclusions and Future Directions; References; 3 Prediction of Physicochemical Properties; 3.1 Introduction; 3.2 Prediction of Lipophilicity; 3.2.1 Fragment-Based Methods; 3.2.2 Methods Based on Molecular Properties; 3.2.3 Predictive Ability of Existing Techniques; 3.2.4 Other Solvent Systems; 3.2.5 Effect of Ionization 3.3 Prediction of Solubility3.3.1 Fragmental Approaches; 3.3.2 Property-Based Methods; 3.3.3 Conclusions; 3.4 Prediction of pKa; 3.4.1 Fragment-Based Methods; 3.4.2 Methods Based on Molecular Properties; 3.4.3 Conclusions; 3.5 Prediction of Protein Binding; 3.6 Conclusions; References; 4 Descriptor-Based Similarity Measures for Screening Chemical Databases; 4.1 Introduction; 4.2 Fragment-Based Similarity Searching; 4.3 Association and Distance Coefficients for Similarity Searching; 4.4 Structural Representations for Similarity Searching; 4.4.1 Descriptor Selection; 4.4.2 Descriptor Encoding 4.5 ConclusionsReferences; 5 Modelling Structure-Activity Relationships; 5.1 Introduction; 5.2 Hansch Analysis; 5.3 3-D QSAR; 5.4 Alignment-Free 3-D Descriptors; 5.5 Topological Descriptors; 5.6 Pharmacophores and Pharmacophoric Keys; 5.7 Conclusions; 5.8 Appendix - Statistical Techniques in QSAR and Pattern Recognition; 5.8.1 Data Reduction and Display; 5.8.1.1 Principal Component Analysis; 5.8.1.2 Non-Linear Mapping; 5.8.1.3 Neural Networks; 5.8.2 Regression Techniques; 5.8.2.1 Multiple Linear Regression; 5.8.2.2 Principal Component Regression and Partial Least Squares 5.8.3 Classification Techniques5.8.3.1 Linear Discriminant Analysis; 5.8.3.2 Soft Independent Modelling of Class Analogy; 5.8.3.3 Recursive Partitioning; References; 6 Database Profiling by Neural Networks; 6.1 "Drug-Likeness": A General Compound Property?; 6.2 Methods and Programs; 6.2.1 Databases; 6.2.2 Descriptors; 6.2.3 Classification Tools; 6.2.4 Complete Algorithm; 6.3 Applications; 6.3.1 Drug-Likeness and a Recipe for a Computational Filter; 6.3.2 Crop Protection Compounds; 6.3.3 Virtual High-Throughput Screens; 6.3.4 Optimization of Combinatorial Libraries; 6.4 Conclusions; References 7 Pharmacophore Pattern Application in Virtual Screening. Library Design and QSAR |
| Record Nr. | UNINA-9910830716403321 |
| Weinheim ; ; New York, : Wiley-VCH, c2000 | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Virtual screening for bioactive molecules / / edited by Hans-Joachim Bohm and Gisbert Schneider
| Virtual screening for bioactive molecules / / edited by Hans-Joachim Bohm and Gisbert Schneider |
| Pubbl/distr/stampa | Weinheim ; ; New York, : Wiley-VCH, c2000 |
| Descrizione fisica | 1 online resource (327 p.) |
| Disciplina | 615/.19 |
| Altri autori (Persone) |
BohmHans-Joachim
SchneiderGisbert <1965-> |
| Collana | Methods and principles in medicinal chemistry |
| Soggetto topico |
Drugs - Design - Computer simulation
Drugs - Testing - Computer simulation |
| ISBN |
9786612010354
9781282010352 1282010352 9783527613083 3527613080 9783527613090 3527613099 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Virtual Screening for Bioactive Molecules; Preface; A Personal Foreword; Contents; List of Contributors; Prologue; 1 High-Throughput Screening and Virtual Screening: Entry Points to Drug Discovery; 1.1 Introduction; 1.2 Miniaturization and Detection Strategies; 1.2.1 Screening Plate Format and Fluidics; 1.2.2 Detection Strategies; 1.2.3 Cell-Based Reporter Gene Assays; 1.2.4 Fluorescence Correlation Spectroscopy .; 1.2.5 Microchip Fabrication; 1.2.6 Remarks and Summary; 1.3 Compound Libraries; 1.4 Multi-Dimensional Optimization: Qualifying HTS Lead Candidates; 1.5 Conclusions; References
2 Library Filtering Systems and Prediction of Drug-Like Properties2.1 Introduction; 2.2 Simple Counting Methods to Predict Drug-Likeness; 2.3 Functional Group Filters; 2.4 "Chemistry Space" Methods; 2.5 Examination of Building Blocks in Known Drugs; 2.6 Other Methods; 2.7 Conclusions and Future Directions; References; 3 Prediction of Physicochemical Properties; 3.1 Introduction; 3.2 Prediction of Lipophilicity; 3.2.1 Fragment-Based Methods; 3.2.2 Methods Based on Molecular Properties; 3.2.3 Predictive Ability of Existing Techniques; 3.2.4 Other Solvent Systems; 3.2.5 Effect of Ionization 3.3 Prediction of Solubility3.3.1 Fragmental Approaches; 3.3.2 Property-Based Methods; 3.3.3 Conclusions; 3.4 Prediction of pKa; 3.4.1 Fragment-Based Methods; 3.4.2 Methods Based on Molecular Properties; 3.4.3 Conclusions; 3.5 Prediction of Protein Binding; 3.6 Conclusions; References; 4 Descriptor-Based Similarity Measures for Screening Chemical Databases; 4.1 Introduction; 4.2 Fragment-Based Similarity Searching; 4.3 Association and Distance Coefficients for Similarity Searching; 4.4 Structural Representations for Similarity Searching; 4.4.1 Descriptor Selection; 4.4.2 Descriptor Encoding 4.5 ConclusionsReferences; 5 Modelling Structure-Activity Relationships; 5.1 Introduction; 5.2 Hansch Analysis; 5.3 3-D QSAR; 5.4 Alignment-Free 3-D Descriptors; 5.5 Topological Descriptors; 5.6 Pharmacophores and Pharmacophoric Keys; 5.7 Conclusions; 5.8 Appendix - Statistical Techniques in QSAR and Pattern Recognition; 5.8.1 Data Reduction and Display; 5.8.1.1 Principal Component Analysis; 5.8.1.2 Non-Linear Mapping; 5.8.1.3 Neural Networks; 5.8.2 Regression Techniques; 5.8.2.1 Multiple Linear Regression; 5.8.2.2 Principal Component Regression and Partial Least Squares 5.8.3 Classification Techniques5.8.3.1 Linear Discriminant Analysis; 5.8.3.2 Soft Independent Modelling of Class Analogy; 5.8.3.3 Recursive Partitioning; References; 6 Database Profiling by Neural Networks; 6.1 "Drug-Likeness": A General Compound Property?; 6.2 Methods and Programs; 6.2.1 Databases; 6.2.2 Descriptors; 6.2.3 Classification Tools; 6.2.4 Complete Algorithm; 6.3 Applications; 6.3.1 Drug-Likeness and a Recipe for a Computational Filter; 6.3.2 Crop Protection Compounds; 6.3.3 Virtual High-Throughput Screens; 6.3.4 Optimization of Combinatorial Libraries; 6.4 Conclusions; References 7 Pharmacophore Pattern Application in Virtual Screening. Library Design and QSAR |
| Record Nr. | UNINA-9911019886503321 |
| Weinheim ; ; New York, : Wiley-VCH, c2000 | ||
| Lo trovi qui: Univ. Federico II | ||
| ||