Computer Applications in Pharmaceutical Research and DevelopmentSean Ekins John Wiley & Sons, 2006 M07 11 - 805 páginas 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. |
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Página 4
... chemical structure is related to molecular properties including biological activity. Hence if one could predict properties by calculations, one might be able to predict which structures should be investigated in the laboratory. Another ...
... chemical structure is related to molecular properties including biological activity. Hence if one could predict properties by calculations, one might be able to predict which structures should be investigated in the laboratory. Another ...
Página 11
... chemistry in use in the 1960s, an independent approach was QSAR, as already alluded to. Here the activity of a ... Chemical, which had pharmaceutical interests, also initiated an early effort. Generally, the first steps consisted ...
... chemistry in use in the 1960s, an independent approach was QSAR, as already alluded to. Here the activity of a ... Chemical, which had pharmaceutical interests, also initiated an early effort. Generally, the first steps consisted ...
Página 14
... chemical accuracy” (bond lengths correctly predicted to within about 0.01 A). Because of the empirical manner in ... chemistry, too. Molecular mechanics became an important technique in the armamentarium of industrial researchers ...
... chemical accuracy” (bond lengths correctly predicted to within about 0.01 A). Because of the empirical manner in ... chemistry, too. Molecular mechanics became an important technique in the armamentarium of industrial researchers ...
Página 15
... chemical structure of the next $200 million drug would tumble into the output tray of the machine. (Back in those days, $200 million in annual sales was equivalent to a blockbuster drug.) The limited capability to predict molecular ...
... chemical structure of the next $200 million drug would tumble into the output tray of the machine. (Back in those days, $200 million in annual sales was equivalent to a blockbuster drug.) The limited capability to predict molecular ...
Página 17
... chemistry papers published in the 1970s included in their introduction rather farfetched claims as to how the quantum chemical calculations being reported were going to be applicable (someday) to the design of anticancer agents ...
... chemistry papers published in the 1970s included in their introduction rather farfetched claims as to how the quantum chemical calculations being reported were going to be applicable (someday) to the design of anticancer agents ...
Contenido
PART II UNDERSTANDING DISEASES MINING COMPLEX SYSTEMS FOR KNOWLEDGE | 103 |
PART III SCIENTIFIC INFORMATION HANDLING AND ENHANCING PRODUCTIVITY | 167 |
PART IV COMPUTERS IN DRUG DISCOVERY | 275 |
PART V COMPUTERS IN PRECLINICAL DEVELOPMENT | 443 |
PART VI COMPUTERS IN DEVELOPMENT DECISION MAKING ECONOMICS AND MARKET ANALYSIS | 555 |
PART VII COMPUTERS IN CLINICAL DEVELOPMENT | 591 |
PART VIII FURTHER APPLICATIONS AND FUTURE DEVELOPMENT | 677 |
INDEX | 775 |
Otras ediciones - Ver todas
Computer Applications in Pharmaceutical Research and Development Sean Ekins Sin vista previa disponible - 2006 |
Computer Applications in Pharmaceutical Research and Development Sean Ekins Sin vista previa disponible - 2006 |
Términos y frases comunes
activity adverse event affinity algorithms analysis application approach automated benefits binding bioinformatics biological cells Chem Chem Inf Comput chemical cheminformatics chemistry clinical trials combinatorial complex compounds computational chemists computer ethics data collection data sets database decision defined descriptors difficult disease docking drug design Drug Discov drug discovery effect efficient Ekins electronic enzyme evaluation example experiments expert systems field files find first flexible formulation function gene genome high-throughput high-throughput screening homology model human identified improve Inf Comput Sci influence inhibitors integrated interactions ligand medicinal chemist metabolism methods molecular molecules optimization parameters patients Pharm pharmaceutical companies pharmaceutical research pharmacokinetic pharmacophore potential prediction profile properties protein QSAR receptor scientific scientists selection significant silico simulation specific structure-activity structure-based systems biology target techniques testing tion toxicity UltraLink validation virtual screening
Pasajes populares
Página 272 - So it is in contemplation; if a man will begin with certainties, he shall end in doubts; but if he will be content to begin with doubts, he shall end in certainties.
Página 34 - An important scientific innovation rarely makes its way by gradually winning over and converting its opponents: it rarely happens that Saul becomes Paul. What does happen is that its opponents gradually die out, and that the growing generation is familiarized with the ideas from the beginning.
Página 45 - Bernstein, FC, Koetzle, TF, Williams, GJB, Meyer, EF, Jr., Brice, MD, Rodgers, JR, Kennard, O., Shimanouchi, T., and Tasumi, M. (1977) The Protein Data Bank: a computer-based archival file for macromolecular structures.
Página 292 - flexible, secure, coordinated resource sharing among dynamic collections of individuals, institutions, and resources - what we refer to as virtual organizations.
Página 419 - Honma, T.; Hayashi, K.; Aoyama, T.; Hashimoto, N.; Machida, T.; Fukasawa, K.; Iwama, T.; Ikeura, C.; Ikuta, M.; Suzuki-Takahashi, I.; Iwasawa, Y.; Hayama, T.; Nishimura, S.; Morishima, H.
Página 164 - MAPPFinder: using Gene Ontology and GenMAPP to create a global gene-expression profile from microarray data.
Página 641 - Use of secure, computer-generated, time-stamped audit trails to independently record the date and time of operator entries and actions that create, modify, or delete electronic records. Record changes shall not obscure previously recorded information. Such audit trail documentation shall be retained for a period at least as long as that required for the subject electronic records and shall be available for agency review and copying.
Página 186 - Istrail, S., Sutton, GG, Florea, L., Halpern, AL, Mobarry, CM, Lippert, R., Walenz, B., Shatkay, H., Dew, I., Miller, JR, Flanigan, MJ, Edwards, NJ, Bolanos, R., Fasulo, D., Halldorsson, BV, Hannenhalli, S., Turner, R., Yooseph, S., Lu, F., Nusskern, DR, Shue, BC. Zheng...
Página 160 - Hughes, TR, Marton, MJ, Jones, AR, Roberts, CJ, Stoughton, R., Armour, CD, Bennett, HA, Coffey, E., Dai, H., He...
Página 248 - The most exciting phrase to hear in science, the one that heralds new discoveries, is not 'Eureka!