عنوان

Chemometrics applications and research :

(Number (ISBN

1498722598

(Number (ISBN

9781498722599

Number

b575565

Title Proper

Chemometrics applications and research :

General Material Designation

[Book]

Other Title Information

QSAR in medicinal chemistry

First Statement of Responsibility

edited by Andrew G. Mercader, PhD, Pablo R. Duchowicz, PhD, P.M. Sivakumar, PhD.

Place of Publication, Distribution, etc.

Toronto Apple Academic Press

Name of Publisher, Distributor, etc.

[

Date of Publication, Distribution, etc.

2016] ©2016

Specific Material Designation and Extent of Item

(446 p.)

Text of Note

Description based upon print version of record.

Text of Note

Front Cover; About the Editors; Contents; List of Contributors; List of Abbreviations; Preface; Acknowledgment; Chapter 1: Overview and Recent Advances in QSAR Studies; Chapter 2: Software and Web Resources for Computer-Aided Molecular Modeling and Drug Discovery; Chapter 3: The rm2 Metrics for Validation of QSAR/QSPR Models; Chapter 4: Considering the Molecular Conformational Flexibility in QSAR Studies; Chapter 5: Practical Aspects of Building, Validation and Application of 3D-Pharmacophore Models. Chapter 6: Application of Conceptual Density Functional Theory in Developing QSAR Models and their Usefulness in the Prediction of Biological Activity and Toxicity of MoleculesChapter 7: Synopsis of Chemometric Applications to Model PPAR Agonism; Chapter 8: Antimicrobial and Immunosuppressive Activitities of Cyclopeptides as Targets for Medicinal Chemistry; Chapter 9: On the Use of Quantitative Structure Activity Relationships and Global Reactivity Descriptors to Study the Biological Activities of Polychlorinated Biphenyls. Chapter 10: Applications of Quantitative Structure-Relative Sweetness Relationships in Food ChemistryChapter 11: QSAR Studies of 1, 4-Benzodiazepines as CCKA Antagonist; Chapter 12: Docking-Based Scoring Parameters Based QSAR Modeling on a Data Set of Bisphenylbenzimidazole as Non-Nucleoside Reverse Transcriptase Inhibitor; Chapter 13: Potential Anti-Inflammatory and Anti-Proliferative Agents and-1h-Isochromen-1-Ones and their Thio Analogues and their QSAR Studies; Chapter 14: QSAR Studies on Dihydrofolate Reductase Enzyme: From Model to Biological Activity; Back Cover.

Chemometrics.

Pharmaceutical chemistry.

QSAR (Biochemistry)

Class number

Book number

edited by Andrew G. Mercader, PhD, Pablo R. Duchowicz, PhD, P.M. Sivakumar, PhD.

Andrew G Mercader

P M Sivakumar

Pablo R Duchowicz

Electronic name

[Book]

Y