Computer-assisted design and

In practice there are different approaches to the development of new MCRs. These are random discovery or chance, combinatorial chemistry, rational and computer-assisted design and the concept of unions of MCRs, and these will be described in the following sections. 

CAD (computer-assisted design) CAD/CAM (computer-assisted design and manufacturing)... 

Combinatorial chemistry, in all its manifestations over the past 6 to 7 years, has fundamentally changed basic research and drug discovery. When coupled with other approaches such as computer-assisted design and molecular biology, combinatorial chemistry can be expected to enhance and continually increase the speed and thoroughness of drug discovery. 

The further development and application of integrated computer-assisted design and drafting is the way ahead, but the choices of methodology to be made for a real, present-day project have to be carefully considered, in particular the need and availability of suitably qualified staff to handle the project s peak load requirement. 

The advent of computer-assisted design and manufacturing technology requires more detailed data on the effect of processing on plastics components. Although the methods described in Chapter 10 allude to the effects, it is important to be aware of the limitations that are imposed by process on the performance of the plastics components. The data base available does not take into account many process-related phenomena. 

The interaction between the product and process becomes an important factor in the use of computer-assisted design and manufacturing. The material added to the new Chapter 11 shows how the product-process interaction affects computer-assisted design and how the limitations can be compensated for while adequate software is developed to include these factors in the computer-assisted design procedure. 

M. Khodadadian and F. Ahmadi, Computer-assisted design and synthesis of molecularly imprinted polymers for selective extraction of acetazolamide from human plasma prior to its voltammetric determination, Talanta, 81 (4-5) 1446-1453, 2010. 

Computer-aided methods are increasingly being used to assist design and a process of synthesis, described later, employs techniques to produce a design that will satisfy predetermined criteria. This produces a layout that can be subjected to critical review, and suggested changes to the layout can be examined for violation of the criteria. 

Tapia, O., Paulino, M. and Stamato, F. M. L. G. Computer assisted simulations and molecular graphics methods in molecular design. 1.Theory and applications to enzyme active-site directed drug design,... 

Recent decades have seen the emergence of a novel approach to scientific research, based on the exploitation of fast electronic digital computers. Computation provides a method of investigation which transcends the traditional division between theory and experiment. Computer-assisted simulation and design may afford a solution to complex problems which would otherwise be intractable to theoretical analysis, and may also provide a viable alternative to difficult or costly laboratory experiments. Though stemming from Theoretical Chemistry, Computational Chemistry is a field of research... 

E. J. Corey and W. T. Wipke, Computer-assisted design of complex organic syntheses, Science, 166 (1969)178-192. 

N. Bodor, P. Buchwald, and M.-J. Huang, Computer assisted design of new drugs based on retrometabolic concepts, SAR QSAR Environ. Res. 8 41 (1998). 

Computer assisted processing and design of reaction mechanisms 6.1 INTRODUCTION... 

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