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Record Nr. |
UNINA9910830089003321 |
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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 |
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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 Multivariate Statistical Methods; 6. Design of Test Series in QSAR; 7. |
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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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Record Nr. |
UNINA9910566478403321 |
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Autore |
Ragino Yuliya I |
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Titolo |
Atherosclerosis : Technologies of Personalized Medicine |
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Pubbl/distr/stampa |
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Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
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Descrizione fisica |
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1 online resource (150 p.) |
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Soggetti |
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Cardiovascular medicine |
Medicine and Nursing |
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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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Sommario/riassunto |
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The first national conference with international participation, "Fundamental aspects of atherosclerosis: scientific research for improving the technologies of personalized medicine", was held in |
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Novosibirsk on 15 October, 2021. The purpose of this conference was to disseminate the latest basic and clinical findings in the fields of etiology, clinical characteristics, and modern diagnostics and treatments of atherosclerosis among various relevant specialists. The conference was intended for practicing cardiologists, primary care physicians, medical geneticists, and physician-scientists. The conference included plenary sessions, specialty sessions, satellite symposia, an open competition for young scientists. |
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