Sean Ekins
Список книг автора Sean EkinsComputational Toxicology
A comprehensive analysis of state-of-the-art molecular modeling approaches and strategies applied to risk assessment for pharmaceutical and environmental chemicals This unique volume describes how the interaction of molecules with toxicologically relevant targets can be predicted using computer-based tools utilizing X-ray crystal structures or homology, receptor, pharmacophore, and quantitative structure activity relationship (QSAR) models of human proteins. It covers the in vitro models used, newer technologies, and regulatory aspects. The book offers a complete systems perspective to risk assessment prediction, discussing experimental and computational approaches in detail, with: * An introduction to toxicology methods and an explanation of computational methods * In-depth reviews of QSAR methods applied to enzymes, transporters, nuclear receptors, and ion channels * Sections on applying computers to toxicology assessment in the pharmaceutical industry and in the environmental arena * Chapters written by leading international experts * Figures that illustrate computational models and references for further information This is a key resource for toxicologists and scientists in the pharmaceutical industry and environmental sciences as well as researchers involved in ADMET, drug discovery, and technology and software development.
Pathway Analysis for Drug Discovery
This book introduces drug researchers to the novel computational approaches of pathway analysis and explains the existing applications that can save time and money in the drug discovery process. It covers traditional computational methods and software for pathway analysis microarray, proteomics, and metabolomics. It explains pathway reconstruction of diseases and toxic states, pathway analysis in various phases, dynamic modeling of drug responses, and more. This is a core resource for drug discovery and pharmaceutical industry researchers, chemists, and biologists and for professionals in related fields.
Pharmaceutical Applications of Raman Spectroscopy
Raman spectroscopy has advanced in recent years with increasing use both in industry and academia. This is due largely to steady improvements in instrumentation, decreasing cost, and the availability of chemometrics to assist in the analysis of data. Pharmaceutical applications of Raman spectroscopy have developed similarly and this book will focus on those applications. Carefully organized with an emphasis on industry issues, Pharmaceutical Applications of Raman Spectroscopy, provides the basic theory of Raman effect and instrumentation, and then addresses a wide range of pharmaceutical applications. Current applications that are routinely used as well as those with promising potential are covered. Applications cover a broad range from discovery to manufacturing in the pharmaceutical industry and include identifying polymorphs, monitoring real-time processes, imaging solid dosage formulations, imaging active pharmaceutical ingredients in cells, and diagnostics.
The Engines of Hippocrates
A unique, integrative look at information-based medicine The convergence of medical science, biology, pharmacology, biomedical engineering, healthcare, and information technology is revolutionizing medical and scientific practice, and has broader social implications still being understood. The Engines of Hippocrates provides a unique, integrative, and holistic look at the new paradigm of information-based medicine, covering a broad range of topics for a wide readership. The authors take a comprehensive approach, examining the prehistory, history, and future of medicine and medical technology and its relation to information; how history led to such present-day discoveries as the structure of DNA, the human genome, and the discipline of bioinformatics; and what the future results of these discoveries may hold. Their far-ranging views are their own and not necessarily those of the IBM Corporation or other employers. The Engines of Hippocrates helps readers understand: Forces shaping the pharmaceutical and biomedical industries today, including personalized medicine, genomics, data mining, and bionanotechnology The relationship between pharmaceutical science today and other disciplines such as philosophy of health, history, economics, mathematics, and computer science The integrated role alternative and non-Western medicines could play in a new, information-based medicine Practical, ethical, organizational, technological, and social problems of information-based medicine, along with a novel data-centric computing model and a self-adaptive software engineering model, and corresponding information technology architectures, including perspectives on sharing remote data efficiently and securely for the common good An unmatched, cross-disciplinary perspective on the big picture of today and tomorrow's medicine, The Engines of Hippocrates provides a reference to interested readers both inside and outside the pharmaceutical and medical communities, as well as a peerless classroom supplement to students in a wide variety of disciplines.
Computer Applications in Pharmaceutical Research and Development
A unique, holistic approach covering all functions and phases of pharmaceutical research and development While there are a number of texts dedicated to individual aspects of pharmaceutical research and development, this unique contributed work takes a holistic and integrative approach to the use of computers in all phases of drug discovery, development, and marketing. It explains how applications are used at various stages, including bioinformatics, data mining, predicting human response to drugs, and high-throughput screening. By providing a comprehensive view, the book offers readers a unique framework and systems perspective from which they can devise strategies to thoroughly exploit the use of computers in their organizations during all phases of the discovery and development process. Chapters are organized into the following sections: * Computers in pharmaceutical research and development: a general overview * Understanding diseases: mining complex systems for knowledge * Scientific information handling and enhancing productivity * Computers in drug discovery * Computers in preclinical development * Computers in development decision making, economics, and market analysis * Computers in clinical development * Future applications and future development Each chapter is written by one or more leading experts in the field and carefully edited to ensure a consistent structure and approach throughout the book. Figures are used extensively to illustrate complex concepts and multifaceted processes. References are provided in each chapter to enable readers to continue investigating a particular topic in depth. Finally, tables of software resources are provided in many of the chapters. This is essential reading for IT professionals and scientists in the pharmaceutical industry as well as researchers involved in informatics and ADMET, drug discovery, and technology development. The book's cross-functional, all-phases approach provides a unique opportunity for a holistic analysis and assessment of computer applications in pharmaceutics.
Predictive Approaches in Drug Discovery and Development. Biomarkers and In Vitro / In Vivo Correlations
Practical Utility of Biomarkers in Drug Discovery and Development covers all aspects of biomarker research applied to drug discovery and development and contains state-of-the-art appraisals on the practical utility of genomic, biochemical, and protein biomarkers. Case histories and lessons from successful and unsuccessful applications of biomarkers are included along with key chapters on GLP validation, safety biomarkers and proteomics biomarkers. Regulatory agency perspectives and initiatives both in the US and internationally are also discussed.