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QSAR : Hansch analysis and related approaches [[electronic resource] /] / by Hugo Kubinyi
| QSAR : Hansch analysis and related approaches [[electronic resource] /] / by Hugo Kubinyi |
| Autore | Kubinyi Hugo |
| Pubbl/distr/stampa | Weinheim ; ; New York, : VCH, c1993 |
| Descrizione fisica | 1 online resource (254 p.) |
| Disciplina |
572.072
615 615.1901 |
| Collana | Methods and principles in medicinal chemistry |
| Soggetto topico |
QSAR (Biochemistry)
Pharmaceutical chemistry |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-281-75888-4
9786611758882 3-527-61682-9 3-527-61683-7 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
QSAR: Hansch Analysis and Related Approaches; Content; 1. Introduction; 1.1. History and Development of QSAR; 1.2. Drug-Receptor Interactions; 2. Biological Data. The Additivity of Group Contributions; 3. Parameters; 3.1. Lipophilicity Parameters; 3.2. The Measurement of Partition Coefficients and Related Lipophilicity Parameters; 3.3. Lipophilicity Contributions and the Calculation of Partition Coefficients; 3.4. Polarizability Parameters; 3.5. Electronic Parameters; 3.6. Steric Parameters; 3.7. Other Parameters; 3.8. Indicator Variables; 4. Quantitative Models
4.1. The Extrathermodynamic Approach (Hansch Analysis)4.2. The Additivity Model (Free Wilson Analysis); 4.3. The Relationships between Hansch and Free Wilson Analysis (The Mixed Approach); 4.4. Nonlinear Relationships; 4.5. Dissociation and Ionization of Acids and Bases; 4.6. Other QSAR Approaches; 5. Statistical Methods; 5.1. Regression Analysis; 5.2. The Significance and Validity of QSAR Regression Equations; 5.3. Partial Least Squares (PLS) Analysis and Other Multivariate Statistical Methods; 6. Design of Test Series in QSAR; 7. Applications of Hansch Analysis; 7.1. Enzyme Inhibition 7.2. Other in vitro Data7.3. Pharmacokinetic Data; 7.4. Other Biological Data; 7.5. Activity-Activity Relationships; 8. Applications of Free Wilson Analysis and Related Models; 9. 3D QSAR Approaches; 9.1. Stereochemistry and Drug Action; 9.2. Active Site Interaction Models; 9.3. Comparative Molecular Field Analysis (CoMFA); 9.4. Molecular Similarity QSAR Analyses; 10. Summary and Conclusions; References; Index |
| Record Nr. | UNINA-9910144132603321 |
Kubinyi Hugo
|
||
| Weinheim ; ; New York, : VCH, c1993 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
QSAR : Hansch analysis and related approaches [[electronic resource] /] / by Hugo Kubinyi
| QSAR : Hansch analysis and related approaches [[electronic resource] /] / by Hugo Kubinyi |
| Autore | Kubinyi Hugo |
| Pubbl/distr/stampa | Weinheim ; ; New York, : VCH, c1993 |
| Descrizione fisica | 1 online resource (254 p.) |
| Disciplina |
572.072
615 615.1901 |
| Collana | Methods and principles in medicinal chemistry |
| Soggetto topico |
QSAR (Biochemistry)
Pharmaceutical chemistry |
| ISBN |
1-281-75888-4
9786611758882 3-527-61682-9 3-527-61683-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
QSAR: Hansch Analysis and Related Approaches; Content; 1. Introduction; 1.1. History and Development of QSAR; 1.2. Drug-Receptor Interactions; 2. Biological Data. The Additivity of Group Contributions; 3. Parameters; 3.1. Lipophilicity Parameters; 3.2. The Measurement of Partition Coefficients and Related Lipophilicity Parameters; 3.3. Lipophilicity Contributions and the Calculation of Partition Coefficients; 3.4. Polarizability Parameters; 3.5. Electronic Parameters; 3.6. Steric Parameters; 3.7. Other Parameters; 3.8. Indicator Variables; 4. Quantitative Models
4.1. The Extrathermodynamic Approach (Hansch Analysis)4.2. The Additivity Model (Free Wilson Analysis); 4.3. The Relationships between Hansch and Free Wilson Analysis (The Mixed Approach); 4.4. Nonlinear Relationships; 4.5. Dissociation and Ionization of Acids and Bases; 4.6. Other QSAR Approaches; 5. Statistical Methods; 5.1. Regression Analysis; 5.2. The Significance and Validity of QSAR Regression Equations; 5.3. Partial Least Squares (PLS) Analysis and Other Multivariate Statistical Methods; 6. Design of Test Series in QSAR; 7. Applications of Hansch Analysis; 7.1. Enzyme Inhibition 7.2. Other in vitro Data7.3. Pharmacokinetic Data; 7.4. Other Biological Data; 7.5. Activity-Activity Relationships; 8. Applications of Free Wilson Analysis and Related Models; 9. 3D QSAR Approaches; 9.1. Stereochemistry and Drug Action; 9.2. Active Site Interaction Models; 9.3. Comparative Molecular Field Analysis (CoMFA); 9.4. Molecular Similarity QSAR Analyses; 10. Summary and Conclusions; References; Index |
| Record Nr. | UNISA-996218390403316 |
|
Kubinyi Hugo
|
||
| Weinheim ; ; New York, : VCH, c1993 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||
QSAR : Hansch analysis and related approaches [[electronic resource] /] / by Hugo Kubinyi
| QSAR : Hansch analysis and related approaches [[electronic resource] /] / by Hugo Kubinyi |
| Autore | Kubinyi Hugo |
| Pubbl/distr/stampa | Weinheim ; ; New York, : VCH, c1993 |
| Descrizione fisica | 1 online resource (254 p.) |
| Disciplina |
572.072
615 615.1901 |
| Collana | Methods and principles in medicinal chemistry |
| Soggetto topico |
QSAR (Biochemistry)
Pharmaceutical chemistry |
| ISBN |
1-281-75888-4
9786611758882 3-527-61682-9 3-527-61683-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
QSAR: Hansch Analysis and Related Approaches; Content; 1. Introduction; 1.1. History and Development of QSAR; 1.2. Drug-Receptor Interactions; 2. Biological Data. The Additivity of Group Contributions; 3. Parameters; 3.1. Lipophilicity Parameters; 3.2. The Measurement of Partition Coefficients and Related Lipophilicity Parameters; 3.3. Lipophilicity Contributions and the Calculation of Partition Coefficients; 3.4. Polarizability Parameters; 3.5. Electronic Parameters; 3.6. Steric Parameters; 3.7. Other Parameters; 3.8. Indicator Variables; 4. Quantitative Models
4.1. The Extrathermodynamic Approach (Hansch Analysis)4.2. The Additivity Model (Free Wilson Analysis); 4.3. The Relationships between Hansch and Free Wilson Analysis (The Mixed Approach); 4.4. Nonlinear Relationships; 4.5. Dissociation and Ionization of Acids and Bases; 4.6. Other QSAR Approaches; 5. Statistical Methods; 5.1. Regression Analysis; 5.2. The Significance and Validity of QSAR Regression Equations; 5.3. Partial Least Squares (PLS) Analysis and Other Multivariate Statistical Methods; 6. Design of Test Series in QSAR; 7. Applications of Hansch Analysis; 7.1. Enzyme Inhibition 7.2. Other in vitro Data7.3. Pharmacokinetic Data; 7.4. Other Biological Data; 7.5. Activity-Activity Relationships; 8. Applications of Free Wilson Analysis and Related Models; 9. 3D QSAR Approaches; 9.1. Stereochemistry and Drug Action; 9.2. Active Site Interaction Models; 9.3. Comparative Molecular Field Analysis (CoMFA); 9.4. Molecular Similarity QSAR Analyses; 10. Summary and Conclusions; References; Index |
| Record Nr. | UNINA-9910830089003321 |
|
Kubinyi Hugo
|
||
| Weinheim ; ; New York, : VCH, c1993 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
QSAR : Hansch analysis and related approaches [[electronic resource] /] / by Hugo Kubinyi
| QSAR : Hansch analysis and related approaches [[electronic resource] /] / by Hugo Kubinyi |
| Autore | Kubinyi Hugo |
| Pubbl/distr/stampa | Weinheim ; ; New York, : VCH, c1993 |
| Descrizione fisica | 1 online resource (254 p.) |
| Disciplina |
572.072
615 615.1901 |
| Collana | Methods and principles in medicinal chemistry |
| Soggetto topico |
QSAR (Biochemistry)
Pharmaceutical chemistry |
| ISBN |
1-281-75888-4
9786611758882 3-527-61682-9 3-527-61683-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
QSAR: Hansch Analysis and Related Approaches; Content; 1. Introduction; 1.1. History and Development of QSAR; 1.2. Drug-Receptor Interactions; 2. Biological Data. The Additivity of Group Contributions; 3. Parameters; 3.1. Lipophilicity Parameters; 3.2. The Measurement of Partition Coefficients and Related Lipophilicity Parameters; 3.3. Lipophilicity Contributions and the Calculation of Partition Coefficients; 3.4. Polarizability Parameters; 3.5. Electronic Parameters; 3.6. Steric Parameters; 3.7. Other Parameters; 3.8. Indicator Variables; 4. Quantitative Models
4.1. The Extrathermodynamic Approach (Hansch Analysis)4.2. The Additivity Model (Free Wilson Analysis); 4.3. The Relationships between Hansch and Free Wilson Analysis (The Mixed Approach); 4.4. Nonlinear Relationships; 4.5. Dissociation and Ionization of Acids and Bases; 4.6. Other QSAR Approaches; 5. Statistical Methods; 5.1. Regression Analysis; 5.2. The Significance and Validity of QSAR Regression Equations; 5.3. Partial Least Squares (PLS) Analysis and Other Multivariate Statistical Methods; 6. Design of Test Series in QSAR; 7. Applications of Hansch Analysis; 7.1. Enzyme Inhibition 7.2. Other in vitro Data7.3. Pharmacokinetic Data; 7.4. Other Biological Data; 7.5. Activity-Activity Relationships; 8. Applications of Free Wilson Analysis and Related Models; 9. 3D QSAR Approaches; 9.1. Stereochemistry and Drug Action; 9.2. Active Site Interaction Models; 9.3. Comparative Molecular Field Analysis (CoMFA); 9.4. Molecular Similarity QSAR Analyses; 10. Summary and Conclusions; References; Index |
| Record Nr. | UNINA-9910841710503321 |
|
Kubinyi Hugo
|
||
| Weinheim ; ; New York, : VCH, c1993 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||