Editor: Mahmud T. Hassan Khan

Recent Trends on QSAR in the Pharmaceutical Perceptions

eBook: US $49 Special Offer (PDF + Printed Copy): US $263
Printed Copy: US $239
Library License: US $196
ISBN: 978-1-60805-4336 (Print)
ISBN: 978-1-60805-379-7 (Online)
Year of Publication: 2012
DOI: 10.2174/97816080537971120101

Introduction

Quantitative Structure-Activity Relationship (QSAR) is a field where true multidisciplinary approaches are being used. This volume titled Recent Trends on QSAR in the Pharmaceutical Perceptions offers an overview on the latest advancements in the field. The e-book explains both basic approaches and new approaches and ideas in QSAR research, providing readers with an impression of recent inclinations and advances in different aspects of the QSAR strategies, such as descriptors, methods of modeling and validation.

This e-book is a valuable reference for pharmacologists, medicinal chemists, drug designers, biotechnologists and industry (pharmaceutical and chemical) professionals. It should serve as an important reference material to stimulate interactions and bridge the gap between participants in academia and industries.

Indexed in: Book Citation Index, Science Edition, Web of Science, BIOSIS Previews, EBSCO.

Foreword By Alexandru T. Balaban

- Pp. i-iii (3)
Alexandru T. Balaban
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Foreword By Roberto Todeschini

- Pp. iv-vi (3)
Roberto Todeschini
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Preface

- Pp. vii-ix (3)
Mahmud Tareq Hassan Khan
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List of Contributors

- Pp. x-xiii (4)
Mahmud Tareq Hassan Khan
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QSAR, Complex Networks, Principal Components and Partial Order Analysis of Drug Cardiotoxicity with Proteome Mass- Spectra Topological Indices

- Pp. 3-50 (48)
Cristian R. Munteanu, Maykel Cruz-Monteagudo, Fernanda Borges, M. Natália D. S. Cordeiro, Ricardo Concu and Humberto González-Díaz

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Calcium Channel Blockers: Past and Future

- Pp. 51-62 (12)
Corina Duda-Seiman, Speranta Avram, Daniel Duda-Seiman, Bogdan Bumbacila, Florin Borcan and Rodica Cinca

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Evaluation of the Pharmacological Descriptors Related to the Induction of Antimicrobial Activity by Using QSAR and Computational Mutagenesis

- Pp. 63-98 (36)
Speranta Avram, Catalin Buiu, Corina Duda-Seiman, Florin Borcan, Daniel Duda-Seiman and Dan Mihailescu

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Computer-Based Strategies Towards the Discovery of New Antiepileptic Agents

- Pp. 99-118 (20)
Luciana Gavernet, Alan Talevi and Luis E. Bruno-Blanch

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Bridging Chemical and Biological Space: QSAR Probing Using 3D Molecular Descriptors

- Pp. 119-193 (75)
M. Natália D.S. Cordeiro, Fernanda Borges and Aliuska Morales Helguera

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Overview of QSAR Modelling in Rational Drug Design

- Pp. 194-241 (48)
Feng Luan and M. Natália D.S. Cordeiro

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QSAR for the Cytotoxicity of tert-Butylphenols and 2- Methoxyphenols in Terms of Inhibition Rate Constant and a Theoretical Parameter

- Pp. 242-254 (13)
Seiichiro Fujisawa and Yoshinori Kadoma
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Artificial Neural Network Model Based QSAR for Oxygen Containing Heterocycles as Selective COX-2 Inhibitors

- Pp. 255-271 (17)
Ponnurengam Malliappan Sivakumar and Mukesh Doble

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Recent Studies on Similarity Measures and its Applications to Chemoinformatics and Drug Design

- Pp. 272-297 (26)
Alan Talevi, Eduardo A. Castro and Luis E. Bruno-Blanch

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QSAR-Based CMs and TOMOCOMD-CARD Approach for the Discovery of New Tyrosinase Inhibitor Chemicals

- Pp. 298-341 (44)
Gerardo M. Casañola-Martin, Huong Le-Thi-Thu, Yovani Marrero-Ponce, Francisco Torrens, Antonio Rescigno, Concepción Abad and Mahmud Tareq Hassan Khan

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QSAR and Bioinformatics for Rational Peptide Design: An Overview of the Development of New Anti-Infective Drugs and MHC Binding Peptides

- Pp. 342-359 (18)
Olivier Taboureau, Morten Nielsen, Claus Lundegaard and Ole Lund

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Quantitative Structure Activity Relationship: History, Development and Applications

- Pp. 360-391 (32)
Medhat Ibrahim, Noha A. Saleh and Wael M. Elshemey

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