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Discovery research decisions

M.S. Virtual compound libraries a new approach to decision making in molecular discovery research. /. Chem. Inf Comput. Sci. 1998, 38, 1010-1023. [Pg.197]

Cramer III, R.D., Patterson, D.E., Clark, R.D., Soltanshahi, F. and Lawless, M.S. (1998). Visual Compound Libraries A New Approach to Decision Making in Molecular Discovery Research. J.Chem.Inf.Comput.Sci.,38,1010-1023. [Pg.552]

R.D. Cramer, D.E. Patterson and P. Hecht, Discovery and lead refinement using Chemspace (TM), Abstracts of papers of the American Chemical Society, 215 016-COMP, Part 1 APR 2 1998 Virtual compound libraries a new approach to decision making in molecular discovery research J. Chem. Inf. Comp. Sci. 38 (1998), 1010-1023. [Pg.309]

Sci., 38,1010 (1998). Virtual Compound Libraries A New Approach to Decision Making in Molecular Discovery Research. [Pg.284]

We describe here for the first time a method for profiling a large number of plant metabolites in a single gas chromatogram. The ojective is to establish a dignostic tool for synthetic chemists involved in discovery research. This method could assist for instance in the decision process to follow up a new chemical structure as a lead or not. [Pg.289]

M. Ryle and A, Hewish (Cambridge) pioneering research in radioastrophysics Ryle for his observations and inventions, in particular of the aperture-synthesis technique, and Hewish for his decisive role in the discovery of pulsars. [Pg.1303]

More recently, the bottleneck of drug research has shifted from hit-and-lead discovery to lead optimization, and more specifically to PK lead optimization. Some major reasons are (i) the imperative to reduce as much as feasible the extremely costly rate of attrition prevailing in preclinical and clinical phases, and (ii) more stringent concerns for safety. The testing of ADME properties is now done much earlier, i.e. before a decision is taken to evaluate a compound in the clinic. [Pg.497]

Bone metabolism has quickly become a topic of fascinating research. The bone, far from being a metabolically inactive tissue, is a tissue where different cell types and different molecules carry out numerous and varied functions. This has been due largely to the discovery of the RANKL/RANK/OPG system of cytokines. These new molecules are decisive in OCS, bone metabolism, and bone loss, but they are also important for other tissues and cells. Indeed, these proteins are critical in several systems the immune system, where they have functions that affect cell survival and the immunomodulation of T-, B-, and dendritic cells the vascular system and the endocrine system. [Pg.186]

Research (on medicines). Numerous definitions of research are used both in the literature and among scientists. In the broadest sense, research in the pharmaceutical industry includes all processes of medicine discovery, preclinical and clinical evaluation, and technical development. In a more restricted sense, research concentrates on the preclinical discovery phase, where the basic characteristics of a new medicine are determined. Once a decision is reached to study the medicine in humans to evaluate its therapeutic potential, the compound passes from the research to the development phase. [Pg.994]

Hence, it seems safe to conclude that the next century will see considerable research on materials and alchemy using quantum theory. If the physical models improve and computations continue to get more accessible, many experimentalists will have access to these tools. In science, all decisions are ultimately made by experiment, and most new discoveries are made by observing physical systems. Perhaps it is not too outrageous to suggest that, if theory continues to improve as it has, theorists may discover new states of matter and properties such as superconductivity and magnetism using their computers and analytic modeling. [Pg.268]

Handling such interwoven networks and complex feedback loops is beyond the capability of common laboratory methods, not to mention that just the complexity of scientific literature itself is already beyond measure. Help from computers and bioinformatics has become a must in today s biomedical research. In fact, bioinformatics methods have become indispensable for each step in biomedical research, from high-throughput data collection to clinical decision support. This chapter focuses on the application of bioinformatics methods in the study of pharmacogenomics, drug discovery, and systems biology. [Pg.5]

Despite its increased frequency over time, the use of we is still restricted, in the Results section, where data are to be presented as objectively as possible, we is generally not used in the first move (e.g., see excerpts 4D and 4E). Recall that the purpose of the opening move is to remind readers of research methods, not to draw attention to the researchers themselves thus, we should be avoided when describing work done in the past (e.g., X was measured is preferred over We measured X). Alternatively, we is used (sparingly) in the second move of the Results section, where authors tell their story of scientific discovery. We can be used to highlight a (human) decision or choice made during the course of the work. Consider the following four examples ... [Pg.150]

Up to this point, it was considered that universities were where discoveries were made and industry was where they were put to some practical use. This separation between basic and applied work was quite prominent at this juncture and continues in many areas even today in some fields of work though the difference has decreased. But in polymers, most of the basic research was done in industry, having as its inception the decision by DuPont to bridge this unnatural gap between fundamental knowledge and application. In truth, they can be considered as the two hands of an individual, and in order to do manual work both hands are important. [Pg.745]

Reasonable access to appropriately patented genomic inventions should be provided for research purposes and exclusive positions maintained for commercial uses. This will promote rapid access to genomic information and fundamental technologies while optimizing the discovery and disclosure of basic advances in biomedical research. The primary question behind the decision whether to patent a finding from genomic research is Will patent protection for this invention promote its development For a potential therapeutic protein, the... [Pg.26]


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