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Record Nr. |
UNINA9910144132603321 |
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Autore |
Kubinyi Hugo |
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Titolo |
QSAR : Hansch analysis and related approaches [[electronic resource] /] / by Hugo Kubinyi |
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Pubbl/distr/stampa |
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Weinheim ; ; New York, : VCH, c1993 |
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ISBN |
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1-281-75888-4 |
9786611758882 |
3-527-61682-9 |
3-527-61683-7 |
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Descrizione fisica |
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1 online resource (254 p.) |
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Collana |
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Methods and principles in medicinal chemistry ; ; v. 1 |
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Disciplina |
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Soggetti |
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QSAR (Biochemistry) |
Pharmaceutical chemistry |
Electronic books. |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographical references (p. [183]-210) and index. |
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Nota di contenuto |
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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 |
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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 |
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Sommario/riassunto |
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Finding the new remedy for a certain disease: an inspired goal. QSAR, an invaluable tool in drug design, aids scientists to attain this aim.This book is a long-awaited comprehensive text to QSAR and related approaches. It provides a practice-oriented introduction to the theory, methods and analyses for QSAR relationships, including modelling-based and 3D approaches.Hugo Kubinyi is a leading expert in QSAR. Readers will benefit from the author's 20 years of practical experience, from his careful calculations and recalculations of thousands of QSAR equations. Among the topics cov |
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2. |
Record Nr. |
UNICASVIA0075546 |
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Autore |
Ausonius, Decimus Magnus |
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Titolo |
Decimi Magni Ausonii Opera / recognovit brevique annotatione critica instruxit R. P. H. Green |
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Pubbl/distr/stampa |
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Oxonii, : e Typographeo Clarendoniano, 1999 |
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Titolo uniforme |
Opera |
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ISBN |
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Descrizione fisica |
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Collana |
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Scriptorum classicorum bibliotheca Oxoniensis |
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Disciplina |
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Soggetti |
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Ausonio, Decimo Magno - Opere - Edizioni critiche |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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