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.
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PART II UNDERSTANDING DISEASES MINING COMPLEX SYSTEMS FOR KNOWLEDGE
PART III SCIENTIFIC INFORMATION HANDLING AND ENHANCING PRODUCTIVITY
PART IV COMPUTERS IN DRUG DISCOVERY
PART V COMPUTERS IN PRECLINICAL DEVELOPMENT
PART VI COMPUTERS IN DEVELOPMENT DECISION MAKING ECONOMICS AND MARKET ANALYSIS
PART VII COMPUTERS IN CLINICAL DEVELOPMENT
PART VIII FURTHER APPLICATIONS AND FUTURE DEVELOPMENT
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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
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!