Pharmaceutical Data Mining: Approaches and Applications for Drug Discovery / Edition 1
by Konstantin V. Balakin
In the era of post-genomic drug development, extracting and applying knowledge from chemical, biological, and clinical data is one of the greatest challenges facing the pharmaceutical industry. Pharmaceutical Data Mining brings together contributions from leading academic and industrial scientists, who address both the implementation new data mining technologies
… See more details belowOverview
In the era of post-genomic drug development, extracting and applying knowledge from chemical, biological, and clinical data is one of the greatest challenges facing the pharmaceutical industry. Pharmaceutical Data Mining brings together contributions from leading academic and industrial scientists, who address both the implementation new data mining technologies and application issues in the industry. This accessible, comprehensive collection discusses important theoretical and practical aspects of pharmaceutical data mining, focusing on diverse approaches for drug discovery-including chemogenomics, toxicogenomics, and individual drug response prediction. The five main sections of this volume cover.
A general overview of the discipline, form its foundations to contemporary industrial applications
Chemoinformatics-based applications
Bioinformatic-based applications
Data mining methods in clinical development
Data mining algorithms, technologies, and software tools, with emphasis on advanced algorithms and software that are currently used in the industry or represent promising approaches
In one concentrated reference, Pharmaceutical Data Mining reveals the role and possibilities of these sophisticated techniques in contemporary drug discovery and development. It is ideal for graduate-level courses covering pharmaceutical science, computational chemistry, and bioinformatics. In addition, it provides insight to pharmaceutical scientists, principal investigators, principal scientists, research directors, and all scientists working in the field of drug discovery and development and associated industries.
Product Details
- ISBN-13:
- 9780470196083
- Publisher:
- Wiley
- Publication date:
- 12/21/2009
- Series:
- Wiley Series on Technologies for the Pharmaceutical Industry Series, #7
- Pages:
- 565
- Product dimensions:
- 6.30(w) x 9.30(h) x 1.20(d)
Table of Contents
Preface ix
Acknowledgments xi
Contributors xiii
Part I Data Mining in the Pharmaceutical Industry: A general overview 1
1 A History of the Development of Data Mining in Pharmaceutical Research David J. Livingstone John Bradshaw 3
2 Drug Gold and Data Dragons: Myths and Realities of Data Mining in the Pharmaceutical Industry Barry Robson John Bradshaw 25
3 Application of Data Mining Algorithms in Pharmaceutical Research and Development Konstantin V. Balakin Nikolay R Savchuk 87
Part II Chemoinformatics-based Applications 113
4 Data Mining Approaches for Compound Selection and Iterative Screening Martin Vogt J?rgen Bajorath 115
5 Prediction of Toxic Effects of Pharmaceutical Agents Andreas Maunz Christoph Helma 145
6 Chemogenomics-Based Design of GPCR-Targeted Libraries Using Data Mining Techniques Konstantin V. Balakin Elena V. Bovina 175
7 Mining High-Throughput Screening Data by Novel Knowledge-Based Optimization Analysis S. Frank Yan Frederick J. King Sumit K. Chanda Jeremy S. Caldwell Elizabeth A. Winzeler Yingyao Zhou 205
Part III Bioinformatics-based Applications 235
8 Mining DNA Microarray Gene Expression Data Paolo Magni 237
9 Bioinformatics Approaches for Analysis of Protein-Ligand Interactions Munazah Andrabi Chioko Nagao Kenji Mizuguchi Shandar Ahmad 267
10 Analysis of Toxicogenomic Databases Lyle D. Burgoon 301
11 Bridging the Pharmaceutical Shortfall: Informatics Approaches to the Discovery of Vaccines, Antigens, Epitopes, and Adjuvants Matthew N. Davies Darren R. Flower 317
Part IV Data Mining methods in Clinical Development 339
12 Data Mining in Pharmacovigilance Manfred Hauben Andrew Bate 341
13 Data Mining Methods as Tools for Predicting Individual Drug Response Audrey Sabbagh Pierre Darlu 379
14 Data Mining Methods in Pharmaceutical Formulation Raymond C. Rowe Elizabeth A Colbourn 401
Part V Data Mining Algorithms and Technologies 423
15 Dimensionality Reduction Techniques for Pharmaceutical Data Mining Igor V. Pletnev Yan A. Ivanenkov Alexey V. Tarasov 425
16 Advanced Artificial Intelligence Methods Used in the Design of Pharmaceutical Agents Yan A. Ivanenkov Ludmila M. Khandarova 457
17 Databases for Chemical and Biological Information Tudor I Oprea Liliana Ostopovici-Halip Ramona Rad-Curpan 491
18 Mining Chemical Structural Information from the Literature Debra L. Banville 521
Index 545
Customer Reviews
Average Review: