| 內容註: |
1. Overview and recent advances in QSAR studies / Rahul P. Gangwal, Mangesh V. Damre, and Abhay T. Sangamwar -- 2. Software and web resources for computer-aided molecular modeling and drug discovery / Dharmendra Kumar Yadav, Reeta Rai, Ramendra Pratap, and Harpreet Singh -- 3. The rm2 metrics for validation of QSAR/QSPR models / Kunal Roy and Supratik Kar -- 4. Considering the molecular conformational flexibility in QSAR studies / Javier Garcia, Pablo R. Duchowicz, and Eduardo A. Castro -- 5. Practical aspects of building, validation and application of 3d-pharmacophore models / Elumalai Pavadai and Kelly Chibale -- 6. Application of conceptual density functional theory in developing QSAR models and their usefulness in the prediction of biological activity and toxicity of molecules / Sudip Pan, Ashutosh Gupta, Debesh R. Roy, Rajesh K. Sharma, Venkatesan Subramanian, Analava Mitra, and Pratim K. Chattaraj -- 7. Synopsis of chemometric applications to model PPAR agonism / Theodosia Vallianatou, George Lambrinidis, and Anna Tsantili-Kakoulidou -- 8. Antimicrobial and immunosuppressive activitities of cyclopeptides as targets for medicinal chemistry / Alicia B. Pomilio, Stella M. Battistaand, and Arturo A. Vitale -- 9. On the use of quantitative structure activity relationships (QSAR) and global reactivity descriptors to study the biological activities of polychlorinated biphenyls (PCBs) / Nazmul Islam -- 10. Applications of quantitative structure-relative sweetness relationships in food chemistry / Cristian Rojas, Pablo R. Duchowicz, Reinaldo Pis Diez, and Piercosimo Tripaldi -- 11. QSAR studies of 1, 4-benzodiazepines as CCKA antagonist / Sumitra Nain, P. M. Shivakumar, and Sarvesh Paliwal -- 12. Docking-based scoring parameters based QSAR modeling on a dataset of bisphenylbenzimidazole as non-nucleoside reverse transcriptase inhibitor / Surendra Kumar and Meena Tiwari -- 13. Potential anti-inflammatory and anti-proliferative agents and-1h-isochromen-1-ones and their thio analogues and their QSAR studies / F. Nawaz Khan, Ponnurengam Malliappan Sivakumar, Mukesh Doble, P. Manivel, and Euh Duck Jeong -- 14. QSAR studies on dihydrofolate reductase enzyme : from model to biological activity / Rajesh Rengarajan, Garima Mathur, Anu Sharma, P. M. Shivakumar, and Sumitra Nain. |