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[×ÊÔ´] PHARMACEUTICAL DATA MINING---Approaches and Applications for Drug Discovery

PHARMACEUTICAL  DATA MINING---Approaches and Applications for  Drug Discovery


PART I  DATA MINING IN THE PHARMACEUTICAL
INDUSTRY: A GENERAL OVERVIEW  1
  1  A History of the Development of Data Mining in Pharmaceutical Research  3
David J. Livingstone and John Bradshaw
  2  Drug Gold and Data Dragons: Myths and Realities of Data Mining in the Pharmaceutical Industry  25
Barry Robson and Andy Vaithiligam
  3  Application of Data Mining Algorithms in Pharmaceutical Research and Development  87
Konstantin V. Balakin and Nikolay P. Savchuk
PART II  CHEMOINFORMATICS-BASED APPLICATIONS  113
  4  Data Mining Approaches for Compound Selection and Iterative Screening  115
Martin Vogt and J¨¹rgen Bajorathvi CONTENTS
  5  Prediction of Toxic Effects of Pharmaceutical Agents  145
Andreas Maunz and Christoph Helma
  6  Chemogenomics-Based Design of GPCR-Targeted Libraries Using Data Mining Techniques  175
Konstantin V. Balakin and Elena V. Bovina
  7  Mining High-Throughput Screening Data by Novel Knowledge-Based Optimization Analysis  205
S. Frank Yan, Frederick J. King, Sumit K. Chanda, Jeremy S. Caldwell,
Elizabeth A. Winzeler, and Yingyao Zhou
PART III  BIOINFORMATICS-BASED APPLICATIONS  235
  8  Mining DNA Microarray Gene Expression Data  237
Paolo Magni
  9  Bioinformatics Approaches for Analysis of Protein¨CLigand Interactions  267
Munazah Andrabi, Chioko Nagao, Kenji Mizuguchi, and Shandar Ahmad
10  Analysis of Toxicogenomic Databases  301
Lyle D. Burgoon
11  Bridging the Pharmaceutical Shortfall: Informatics Approaches to the Discovery of Vaccines, Antigens, Epitopes, and Adjuvants  317
Matthew N. Davies and Darren R. Flower
PART IV  DATA MINING METHODS IN CLINICAL DEVELOPMENT  339
12  Data Mining in Pharmacovigilance  341
Manfred Hauben and Andrew Bate
13  Data Mining Methods as Tools for Predicting Individual
Drug Response  379
Audrey Sabbagh and Pierre Darlu
14  Data Mining Methods in Pharmaceutical Formulation  401
Raymond C. Rowe and Elizabeth A Colbourn
PART V  DATA MINING ALGORITHMS AND TECHNOLOGIES  423
15  Dimensionality Reduction Techniques for Pharmaceutical Data Mining  425
Igor V. Pletnev, Yan A. Ivanenkov, and Alexey V. TarasovCONTENTS  vii
16  Advanced Artifi cial Intelligence Methods Used in the Design of Pharmaceutical Agents  457
Yan A. Ivanenkov and Ludmila M. Khandarova
17  Databases for Chemical and Biological Information  491
Tudor I. Oprea, Liliana Ostopovici-Halip, and Ramona Rad-Curpan
18  Mining Chemical Structural Information from the Literature  521
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