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" Chemometrics applications and research : "
edited by Andrew G. Mercader, PhD, Pablo R. Duchowicz, PhD, P.M. Sivakumar, PhD.
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BL
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| Record Number
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755603
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b575565
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| Main Entry
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edited by Andrew G. Mercader, PhD, Pablo R. Duchowicz, PhD, P.M. Sivakumar, PhD.
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| Title & Author
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Chemometrics applications and research : : QSAR in medicinal chemistry\ edited by Andrew G. Mercader, PhD, Pablo R. Duchowicz, PhD, P.M. Sivakumar, PhD.
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| Publication Statement
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Toronto Apple Academic Press: [, 2016] ©2016
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| Page. NO
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(446 p.)
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| ISBN
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1498722598
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: 9781498722599
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| Notes
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Description based upon print version of record.
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| Contents
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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.
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| Subject
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Chemometrics.
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Pharmaceutical chemistry.
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| Subject
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QSAR (Biochemistry)
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| LC Classification
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RM301.42E358 9999
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| Added Entry
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Andrew G Mercader
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P M Sivakumar
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Pablo R Duchowicz
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