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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
Opac: Controlla la disponibilità qui
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
Opac: Controlla la disponibilità qui
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
Opac: Controlla la disponibilità qui
QSAR : Hansch analysis and related approaches / / by Hugo Kubinyi
QSAR : Hansch analysis and related approaches / / 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 9786611758882
9781281758880
1281758884
9783527616824
3527616829
9783527616831
3527616837
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-9911019296903321
Kubinyi Hugo  
Weinheim ; ; New York, : VCH, c1993
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui