Understanding the basics of QSAR for applications in pharmaceutical sciences and risk assessment / (Record no. 247056)
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| fixed length control field | 05865cam a2200553Ia 4500 |
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| control field | ocn904792515 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | OCoLC |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20190328114810.0 |
| 006 - FIXED-LENGTH DATA ELEMENTS--ADDITIONAL MATERIAL CHARACTERISTICS | |
| fixed length control field | m o d |
| 007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION | |
| fixed length control field | cr |n||||||||| |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 150313s2015 ne a ob 001 0 eng d |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | IDEBK |
| Language of cataloging | eng |
| Description conventions | pn |
| Transcribing agency | IDEBK |
| Modifying agency | N$T |
| -- | EBLCP |
| -- | OPELS |
| -- | BTCTA |
| -- | YDXCP |
| -- | OCLCQ |
| -- | CDX |
| -- | OCLCF |
| -- | ABH |
| -- | DEBSZ |
| -- | OCLCQ |
| -- | FEM |
| -- | IDB |
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| -- | OCLCQ |
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| -- | KIJ |
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| -- | D6H |
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| -- | OCLCO |
| -- | MERER |
| -- | OCLCO |
| -- | OCLCQ |
| -- | WYU |
| -- | OCLCO |
| -- | OCLCQ |
| -- | OCLCA |
| 019 ## - | |
| -- | 968100088 |
| -- | 969054602 |
| -- | 1066458973 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 1336100990 |
| Qualifying information | (electronic bk.) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9781336100992 |
| Qualifying information | (electronic bk.) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9780128016336 |
| Qualifying information | (electronic bk.) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 0128016337 |
| Qualifying information | (electronic bk.) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| Canceled/invalid ISBN | 9780128015056 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| Canceled/invalid ISBN | 0128015055 |
| 035 ## - SYSTEM CONTROL NUMBER | |
| System control number | (OCoLC)904792515 |
| Canceled/invalid control number | (OCoLC)968100088 |
| -- | (OCoLC)969054602 |
| -- | (OCoLC)1066458973 |
| 050 #4 - LIBRARY OF CONGRESS CALL NUMBER | |
| Classification number | RM301.42 |
| 060 #4 - NATIONAL LIBRARY OF MEDICINE CALL NUMBER | |
| Classification number | QV 37 |
| 072 #7 - SUBJECT CATEGORY CODE | |
| Subject category code | MED |
| Subject category code subdivision | 071000 |
| Source | bisacsh |
| 082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Classification number | 615.19 |
| Edition number | 23 |
| 100 1# - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Roy, Kunal, |
| Dates associated with a name | 1971- |
| Relator term | author. |
| 245 10 - TITLE STATEMENT | |
| Title | Understanding the basics of QSAR for applications in pharmaceutical sciences and risk assessment / |
| Medium | [electronic resource] |
| Statement of responsibility, etc. | Kunal Roy, Supratik Kar, Rudra Narayan Das. |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) | |
| Place of publication, distribution, etc. | Amsterdam ; |
| -- | Boston : |
| Name of publisher, distributor, etc. | Academic Press, an imprint of Elsevier, |
| Date of publication, distribution, etc. | 2015 |
| 264 #4 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE | |
| Date of production, publication, distribution, manufacture, or copyright notice | �2015 |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 1 online resource : |
| Other physical details | illustrations |
| 336 ## - CONTENT TYPE | |
| Content type term | text |
| Content type code | txt |
| Source | rdacontent |
| 337 ## - MEDIA TYPE | |
| Media type term | computer |
| Media type code | c |
| Source | rdamedia |
| 338 ## - CARRIER TYPE | |
| Carrier type term | online resource |
| Carrier type code | cr |
| Source | rdacarrier |
| 347 ## - DIGITAL FILE CHARACTERISTICS | |
| File type | text file |
| Source | rda |
| 588 0# - SOURCE OF DESCRIPTION NOTE | |
| Source of description note | Online resource; title from PDF title page (Ebsco, viewed March 18, 2015). |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE | |
| Bibliography, etc | Includes bibliographical references and index. |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. | Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment describes the historical evolution of quantitative structure-activity relationship (QSAR) approaches and their fundamental principles. This book includes clear, introductory coverage of the statistical methods applied in QSAR and new QSAR techniques, such as HQSAR and G-QSAR. Containing real-world examples that illustrate important methodologies, this book identifies QSAR as a valuable tool for many different applications, including drug discovery, predictive toxicology and risk assessment. Written in a straightforward and engaging manner, this is the ideal resource for all those looking for general and practical knowledge of QSAR methods. |
| 505 0# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | Machine generated contents note: 1. Background of QSAR and Historical Developments -- 1.1. Introduction -- 1.2. Physicochemical Aspects of Biological Activity of Drugs and Chemicals -- 1.3. Structure -- Activity Relationship -- 1.4. Historical Development of QSARs: a Journey of Knowledge Enrichment -- 1.5. Applications of QSAR -- 1.6. Regulatory Perspectives of QSAR -- 1.7. Overview and Conclusion -- References -- 2. Chemical Information and Descriptors -- 2.1. Introduction -- 2.2. Concept of Descriptors -- 2.3. Type of Descriptors -- 2.4. Descriptors Commonly Used in QSAR Studies -- 2.5. Overview and Conclusion -- References -- 3. Classical QSAR -- 3.1. Introduction -- 3.2. The Free -- Wilson Model -- 3.3. The Fujita -- Ban Model -- 3.4. The LFER Model -- 3.5. Kubinyi's Bilinear Model -- 3.6. The Mixed Approach -- 3.7. Overview and Conclusions -- References -- 4. Topological QSAR -- 4.1. Introduction -- 4.2. Topology: A Method of Chemical Structure Representation -- 4.3. Graphs and Matrices: Platforms for the Topological Paradigm -- 4.4. Topological Indices -- 4.5. Conclusion and Possibilities -- References -- 5.Computational Chemistry -- 5.1. Introduction -- 5.2.Computer Use in Chemistry -- 5.3. Conformational Analysis and Energy Minimization -- 5.4. Molecular Mechanics -- 5.5. Molecular Dynamics -- 5.6. Quantum Mechanics -- 5.7. Overview and Conclusion -- References -- 6. Selected Statistical Methods in QSAR -- 6.1. Introduction -- 6.2. Regression-Based Approaches -- 6.3. Classification-Based QSAR -- 6.4. Machine Learning Techniques -- 6.5. Conclusion -- References -- 7. Validation of QSAR Models -- 7.1. Introduction -- 7.2. Different Validation Methods -- 7.3.A Practical Example of the Calculation of Common Validation Metrics and the AD -- 7.4. QSAR model reporting format -- 7.5. Overview and Conclusion -- References -- 8. Introduction to 3D-QSAR -- 8.1. Introduction -- 8.2.Comparative Molecular Field Analysis -- 8.3.Comparative Molecular Similarity Indices Analysis -- 8.4. Molecular Shape Analysis -- 8.5. Receptor Surface Analysis -- 8.6. Other Approaches -- 8.7. Overview and Conclusions -- References -- 9. Newer QSAR Techniques -- 9.1. Introduction -- 9.2. HQSAR -- 9.3.G-QSAR -- 9.4. Other Approaches -- 9.5. Overview and Conclusions -- References -- 10. Other Related Techniques -- 10.1. Introduction -- 10.2. Pharmacophore -- 10.3. Structure-Based Design -- Docking -- 10.4.Combination of Structure- and Ligand-Based Design Tools -- 10.5. In sillco Screening of Chemical Libraries: VS -- 10.6. Overview and Conclusions -- References -- 11. SAR and QSAR in Drug Discovery and Chemical Design -- Some Examples -- 11.1. Introduction -- 11.2. Successful Applications of QSAR and Other In Sillco Methods: Representative Examples -- 11.3. Conclusion -- References -- 12. Future Avenues -- 12.1. Introduction -- 12.2. Application Areas -- 12.3. Conclusion -- References. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | QSAR (Biochemistry) |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Pharmacology. |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | MEDICAL |
| General subdivision | Pharmacology. |
| Source of heading or term | bisacsh |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Pharmacology. |
| Source of heading or term | fast |
| Authority record control number | (OCoLC)fst01060259 |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | QSAR (Biochemistry) |
| Source of heading or term | fast |
| Authority record control number | (OCoLC)fst01084801 |
| 650 #2 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Pharmacological Phenomena. |
| Authority record control number | (DNLM)D000069437 |
| 655 #4 - INDEX TERM--GENRE/FORM | |
| Genre/form data or focus term | Electronic books. |
| 655 #0 - INDEX TERM--GENRE/FORM | |
| Genre/form data or focus term | Electronic book. |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Kar, Supratik, |
| Relator term | author. |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Das, Rudra Narayan, |
| Relator term | author. |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Materials specified | ScienceDirect |
| Uniform Resource Identifier | http://www.sciencedirect.com/science/book/9780128015056 |
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