Chemometrics Applications and Research:QSAR in Medicinal Chemistry

图书简介

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.

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Harvard Library

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.

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Chemometrics Applications and Research:QSAR in Medicinal Chemistry 化学计量学的应用与研究：药物化学的定量构效关系 物理化学

Chemometrics Applications and Research:QSAR in Medicinal Chemistry

化学计量学的应用与研究：药物化学的定量构效关系
物理化学