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Chemometrics Applications and Research: QSAR in Medicinal Chemistry by Andrew G.
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eBay item number:396275447438
Item specifics
- Condition
- ISBN-13
- 9781771881135
- Book Title
- Chemometrics Applications and Research
- ISBN
- 9781771881135
About this product
Product Identifiers
Publisher
Apple Academic Press, Incorporated
ISBN-10
1771881135
ISBN-13
9781771881135
eBay Product ID (ePID)
211889598
Product Key Features
Number of Pages
458 Pages
Language
English
Publication Name
Chemometrics Applications and Research : Qsar in Medicinal Chemistry
Publication Year
2016
Subject
Life Sciences / Biochemistry, Chemistry / Physical & Theoretical, Chemistry / General
Type
Textbook
Subject Area
Science
Format
Hardcover
Dimensions
Item Height
1.1 in
Item Weight
28.2 Oz
Item Length
9.4 in
Item Width
6.7 in
Additional Product Features
Intended Audience
College Audience
LCCN
2015-036712
Reviews
"This concisely written and up-to-date book is an asset for QSAR, and it will create great interest among the new entrants into the field. It covers topics from 2D-to 6D-QSAR and allied topics in good details with high clarity. The book deserves high place on the desks of beginners and practicing professionals." --Vijay Masand, PhD, Department of Chemistry, Vidya Bharati College, Amravati, Maharashtra, India
Dewey Edition
23
Illustrated
Yes
Dewey Decimal
615.101/543
Table Of Content
Preface. Overview and Recent Advances in QSAR Studies. Software and Web Resources for Computer-Aided Molecular Modeling and Drug Discovery. The Rm2 Metrics for Validation of QSAR/QSPR Models. Considering the Molecular Conformational Flexibility in QSAR Studies. Practical Aspects of Building, Validation and Application of 3D-Pharmacophore Models. Application of Conceptual Density Functional Theory in Developing QSAR Models and Their Usefulness in the Prediction of Biological Activity and Toxicity of Molecules. Synopsis of Chemometric Applications to Model PPAR Agonism. Antimicrobial and Immunosuppressive Activitites of Cyclopeptides as Targets for Medicinal Chemistry. On the Use of Quantitative Structure Activity Relationships (QSAR) and Global Reactivity Descriptors to Study the Biological Activities of Polychlorinated Biphenyls (PCBs). Applications of Quantitative Structure-Relative Sweetness Relationships in Food Chemistry. QSAR Studies of 1, 4-Benzodiazepines as CCKA Antagonist. Docking-Based Scoring Parameters Based QSAR Modeling on a Dataset of Bisphenylbenzimidazole as Non-Nucleoside Reverse Transcriptase Inhibitor. Potential Anti-Inflammatory and Anti-Proliferative Agents.-1h-Isochromen-1-Ones and Their Thio Analogues and Their QSAR Studies. QSAR Studies on Dihydrofolate Reductase Enzyme: From Model to Biological Activity. Index.
Synopsis
This important new book provides innovative material, including peer-reviewed chapters and survey articles on new applied research and development, in the scientifically important field of QSAR in medicinal chemistry. QSAR is a growing field because available computing power is continuously increasing, QSAR's potential is enormous, limited only by the quantity and quality of the available experimental input, which are also continuously improving. The number of possible structures for the design of new organic compounds is difficult to imagine, and QSAR helps to predict their activities even before synthesis. The book provides a wealth of valuable information and: * Presents an overview of recent developments in QSAR methodologies along with a brief history of QSAR * Covers the available web resource tools and in silico techniques used in virtual screening and drug discovery processes, compiling an extensive review of web resources in the following categories: databases related to chemical compounds, drug targets, and ADME/toxicity prediction; molecular modeling and drug designing; virtual screening; pharmacophore generation; molecular descriptor calculation software; software for quantum mechanics; ligand binding affinities (docking); and software related to ADME/toxicity prediction * Reviews the rm2 as a more stringent measure for the assessment of model predictivity compared to traditional validation metrics, being specifically important since validation is a crucial step in any QSAR study * Presents linear model improvement techniques that take into account the conformation flexibility of the modeled molecules * Summarizes the building processes of four different pharmacophore models: common-feature, 3D-QSAR, protein-, and protein-ligand complexes * Shows the role of different conceptual density functional theory based chemical reactivity descriptors, such as hardness, electrophilicity, net electrophilicity, and philicity in the design of different QSAR/QSPR/QSTR models * Reviews the use of chemometrics in PPAR research highlighting its substantial contribution in identifying essential structural characteristics and understanding the mechanism of action * Presents the structures and QSARs of antimicrobial and immunosuppressive cyclopeptides, discussing the balance of antimicrobial and haemolytic activities for designing new antimicrobial cyclic peptides * Shows the relationship between DFT global descriptors and experimental toxicity of a selected group of polychlorinated biphenyls, exploring the efficacy of three DFT descriptors * Reviews the applications of Quantitative Structure-Relative Sweetness Relationships (QSRSR), showing that the last decade was marked by an increase in the number of studies regarding QSAR applications for both understanding the sweetness mechanism and synthesizing novel sweetener compounds for the food additive industry The wide coverage makes this book an excellent reference for those in chemistry, pharmacology, and medicine as well as for research centers, governmental organizations, pharmaceutical companies, and health and environmental control organizations., This important new book provides innovative material, including peer-reviewed chapters and survey articles on new applied research and development, in the scientifically important field of QSAR in medicinal chemistry. QSAR is a growing field because available computing power is continuously increasing. This important new book provides innovative material, including peer-reviewed chapters and survey articles on new applied research and development, in the scientifically important field of QSAR in medicinal chemistry., This important new book provides innovative material, including peer-reviewed chapters and survey articles on new applied research and development, in the scientifically important field of QSAR in medicinal chemistry. QSAR is a growing field because available computing power is continuously increasing, QSAR's potential is enormous, limited only by the quantity and quality of the available experimental input, which are also continuously improving. The number of possible structures for the design of new organic compounds is difficult to imagine, and QSAR helps to predict their activities even before synthesis. The book provides a wealth of valuable information and: - Presents an overview of recent developments in QSAR methodologies along with a brief history of QSAR - Covers the available web resource tools and in silico techniques used in virtual screening and drug discovery processes, compiling an extensive review of web resources in the following categories: databases related to chemical compounds, drug targets, and ADME/toxicity prediction; molecular modeling and drug designing; virtual screening; pharmacophore generation; molecular descriptor calculation software; software for quantum mechanics; ligand binding affinities (docking); and software related to ADME/toxicity prediction - Reviews the rm2 as a more stringent measure for the assessment of model predictivity compared to traditional validation metrics, being specifically important since validation is a crucial step in any QSAR study - Presents linear model improvement techniques that take into account the conformation flexibility of the modeled molecules - Summarizes the building processes of four different pharmacophore models: common-feature, 3D-QSAR, protein-, and protein-ligand complexes - Shows the role of different conceptual density functional theory based chemical reactivity descriptors, such as hardness, electrophilicity, net electrophilicity, and philicity in the design of different QSAR/QSPR/QSTR models - Reviews the use of chemometrics in PPAR research highlighting its substantial contribution in identifying essential structural characteristics and understanding the mechanism of action - Presents the structures and QSARs of antimicrobial and immunosuppressive cyclopeptides, discussing the balance of antimicrobial and haemolytic activities for designing new antimicrobial cyclic peptides - Shows the relationship between DFT global descriptors and experimental toxicity of a selected group of polychlorinated biphenyls, exploring the efficacy of three DFT descriptors - Reviews the applications of Quantitative Structure-Relative Sweetness Relationships (QSRSR), showing that the last decade was marked by an increase in the number of studies regarding QSAR applications for both understanding the sweetness mechanism and synthesizing novel sweetener compounds for the food additive industry The wide coverage makes this book an excellent reference for those in chemistry, pharmacology, and medicine as well as for research centers, governmental organizations, pharmaceutical companies, and health and environmental control organizations.
LC Classification Number
RM301.42
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- r***r (2961)- Feedback left by buyer.Past 6 monthsVerified purchaseBook arrived today, 2 days before deadline given by the seller. Well-packaged & in good condition. Price was very competitive, & the book was accurately listed. Great communication. I appreciate the seller getting back to me when I was having trouble tracking the book's delivery progress. Apparently there were 2 different tracking numbers - one in Canada & the other in the U.S., since it was initially shipped from Canada. Thank you very much for your quick response & helpful information.Rethinking Investing: A Very Short Guide to Very Long-Term Investing by Charles (#396183075510)
- e***_ (15)- Feedback left by buyer.Past 6 monthsVerified purchaseSeller handles a massive inventory so I give them grace on the slow processing and shipping. They were very communicative and prompt with their response when I messaged in asking about it. Book was in good condition as described. Small ding on the page edges which wasn't mentioned, but that's fairly common even at your typical book store. Still a good value and I'd buy from them again.
- 0***i (5)- Feedback left by buyer.Past monthVerified purchaseThe first item arrived with some damage to the inside back cover, but the seller responded immediately, assuring me they’d provide a replacement, and even told me I could keep the original. They were upfront about a short delay, and gave a clear estimated ship date, and followed up right on time once it shipped. The replacement arrived in perfect condition and exactly as described. I really appreciated their transparency and professionalism. Would definitely buy from them again!
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Seller Feedback (1,054,233)
- r***r (2961)- Feedback left by buyer.Past 6 monthsVerified purchaseBook arrived today, 2 days before deadline given by the seller. Well-packaged & in good condition. Price was very competitive, & the book was accurately listed. Great communication. I appreciate the seller getting back to me when I was having trouble tracking the book's delivery progress. Apparently there were 2 different tracking numbers - one in Canada & the other in the U.S., since it was initially shipped from Canada. Thank you very much for your quick response & helpful information.Rethinking Investing: A Very Short Guide to Very Long-Term Investing by Charles (#396183075510)
- e***_ (15)- Feedback left by buyer.Past 6 monthsVerified purchaseSeller handles a massive inventory so I give them grace on the slow processing and shipping. They were very communicative and prompt with their response when I messaged in asking about it. Book was in good condition as described. Small ding on the page edges which wasn't mentioned, but that's fairly common even at your typical book store. Still a good value and I'd buy from them again.
- 0***i (5)- Feedback left by buyer.Past monthVerified purchaseThe first item arrived with some damage to the inside back cover, but the seller responded immediately, assuring me they’d provide a replacement, and even told me I could keep the original. They were upfront about a short delay, and gave a clear estimated ship date, and followed up right on time once it shipped. The replacement arrived in perfect condition and exactly as described. I really appreciated their transparency and professionalism. Would definitely buy from them again!