Predictive science

Cohen, C., Parry, D.A.D. a-Helical coiled coils more facts and better predictions. Science 263 488-489, 1993. 

Two hundred years were required before the molecular structure of the double layer could be included in electrochemical models. The time spent to include the surface structure or the structure of three-dimensional electrodes at a molecular level should be shortened in order to transform electrochemistry into a more predictive science that is able to solve the important technological or biological problems we have, such as the storage and transformation of energy and the operation of the nervous system, that in a large part can be addressed by our work as electrochemists. 

Whether butadiene reacts with itself to give linear polymers or 8- or 12-carbon rings is a function of the catalyst and conditions used. Development of catalysts needed to give the desired products is the job of catalyst research chemists. Although catalysis is critically important in the chemical industry and much work has been done on it in research laboratories for many years, catalyst development remains more of an art than a predictable science, and the chemists involved in this type of research use methods they have learned experimentally, not from books or in classrooms. 

The study of DMPK has changed from a descriptive to a much more predictive science [3]. This is driven by great progress in bioanalytics, development of in vitro assays and in silica modeling/simulation, and a much better basic understanding of the processes. Thus, and fortunately, ADME-related attrition has lowered from around 40% in 1990 to around 10% in 2005 [13]. 

Sustain availability of safe and effective new and generic products by improving rapid, transparent, and predictable science-based review of marketing applications. 

Levy, H Normal Atmosphere Large Radical and Formaldehyde Concentrations Predicted, Science, 173, 141-143 (1971). 

Levy, H., Ill (1971) Normal atmosphere Large radical and formaldehyde concentrations predicted. Science, 173,141. 

If such a view is taken, it becomes equally evident that only a few possibilities have been investigated, and these sketchily. Chemistry is by no means a completed or even a predictable science this particular portion of it is distinctly crude and elementary. Very few organosiloxanes have been investigated by physical methods to find out how they are put together, and hence no one knows how to plan experiments directed at improvement of the structures that now just happen in hydrolytic and condensation reactions. We have only working hypotheses based upon empirical knowledge and upon infer-... 

Golombek, M.P., et al. Overview of the Mars Pathfinder Mission and Assessment of Landing Site Predictions. Science 278, No. 5344 (December 5,1997) 1743-1748. 

Sugisaki, R., 1981. Deep seated gas emission induced by the Earth tide a basic observation for geochemical earthquake prediction. Science, 212 1264-1266. 

Modern toxicology, which is over 100 years old, is both an experimental and an applied science. It is a predictive science that has evolved remarkably since the time of Orfila, particularly in the last 60 years. Recent additions to the discipline include safety evaluation and risk assessment. Toxicology will be influenced greatly by expanding knowledge in immunology and genetics in years to come. 

Pharmacogenetics has reached a point at which many of the complexities of human drug response and disease are understood and some can be predicted. Genomics and computational tools, combined with an extensive record of research in cells of individuals and in model systems that define the field, have fueled the transformation of pharmacogenetics from a descriptive to a predictive science. 

Of the phenomena discussed in this book, catalysis and acidity head the list, with sorption a relatively close second, followed by ion exchange. This situation has been the order of activity for the past 20 to 25 years. Studies of crystal structure, crystal and solution chemistry, and crystal growth are presented, indicating that efforts are still underway to make zeolite synthesis a more predictive science than it is at present with only a collection of empirically... 

Gehring, P. J. Young, J. D. In Proceedings of the First International Congress on Toxicology Toxicology as a Predictive Science. Plaa, G. L. Duncan, W. A. M. Eds. Academic Press,... 

Systems biology can be defined as the endeavor to understand biomedical systems using data-based mathematical modeling of their dynamic behavior. The final goal is to turn the life sciences from a qualitative, descriptive science into a quantitative, predictive science. Systems biology relies on other fields of research but should also be distinguished from them, since systems biology is more than. .. 

Vulnerability assessment is not a predictive science—it is an objective way of analyzing subjective issues. Given these realities and the evolving threat environment, the CCPS SVA method, with the specific changes made to address transportation issues, provides a transparent and flexible set of tools to evaluate a wide variety of chemicals, modes of transportation, routes, and to efficiently determine vulnerabilities, assess related risks, and evaluate countermeasures to minimize those risks. 

We will provide the reader with an introduction to fundamental concepts in catalytic reactivity and catalyst synthesis derived from the results of computational analysis along with physical and chemical experimental studies. The tremendous advances in nanoscale materials characterization, in itu spectroscopy to provide atomic and molecular level resolution of surfaces and adsorbed intermediates under reaction conditions, predictive ab initio quantum mechanical methods and molecular simulations that have occurred over the past two decades have helped to make catalysis much more of a predictive science. This has significantly enhanced the technology of catalysis well beyond the historical ammonia synthesis and petrochemical processes. 

The ability to detect molecules in complex environments and follow their transformations, along with the ability to synthesize atomic scale architectures, has revolutionized research in chemistry and engineering. This molecularization has had a dramatic impact on the science of catalysis. Catalysis has transformed from what was once a qualitative descriptive and empirical area of research, which many termed an art, into more of a predictive science supported by the mechanistic understanding of chemical reactivity. 

---