Design tools computer-based

In order to facilitate the application of anthropometric data and biomechanical analysis in workplace design, several computer-based models of man have been developed. These computer-aided tools... 

German M, Mengoni M, Peruzzini M (2012) A QFD-based method to support SMEs in benchmarking co-design tools. Comput Ind 63(l) 12-29... 

In this section, multimedia tools refer to computer-based systems that integrate multiple symbol systems (Salomon, 1979), such as text, audio, video, graph, and animation, to demonstrate chemical entities and/or processes at the macro, submicro, or symbolic levels. In the following, we review four multimedia tools—4M Chem, ChemSense, Molecular Workbench, and Connected Chemistry—and use the design principles suggested by Wu and Shah (2004) to summarize how these tools support students in learning chemistry. 

Overall, most of the requirements for a process spectrometer/analyzer are straightforward to implement, but they do require attention at the design level. Another important area, which is FTIR specific, is the user interface and the need to provide for industry standard data communications. Standard software packages do exist for process instrumentation. For prototype development, and even for the front-end interface in a stand-alone mode of operation, software products, such as National Instraments Lab View and the Mathworks MatLab, are also important instrumentation development tools. Note that National Instruments also provides important computer-based electronics and hardware that meet most of the computer interfacing, and system control and communications needs for modem instrumentation. For practical installations, a product known... 

High-throughput synthesis and combinatorial chemistry employing polymer supports, with computer-based rational design, are important tools for systematic optimization of the affinity, selectivity, and bio-availability of protease inhibitors. It is very likely that currently available isosteres will not suffice for addressing the natural selectivity of proteases. Thus, synthetic methodology must be devised not only to decorate a predefined isosteric core but to define novel active site binders. 

Jain, A.N., Dietterich, T.G., Lathrop, R.H., Chapman, D., Critchlow, R.E., Bauer, B.E., Webster, T.A. and Lozano-Perez, T. (1994a). Compass A Shape-Based Machine Learning Tool for Drug Design. J.Comput.Aid.Molec.Des., 8, 635. 

A membrane system can be designed by empirical or semiempirical approaches and computer-simulation models. The former can be found in the literature such as Geankoplis s manuscript (26) the later is illustrated by Judd and Jefferson (3). A frequently used design tool based on a semiempirical approach is given below. 

Quantitative structure-activity relationship (QSAR) dates back to the nineteenth century and is a computer-based tool that attempts to correlate variations in structural or molecular properties of compounds with their biological activities. These physicochemical descriptors, which include parameters to account for hydrophobicity, topology, electronic properties, and steric effects, are determined empirically or, more recently, by computational methods. The premise is that the structure of a chemical determines the physiochemical properties and reactivities that underlie its biological and toxicological properties. Being able to predict potential adverse effects not only aids in the designed development of new chemicals but also reduces the need for animal testing. It may ultimately or potentially lead to better... 

The design of extrusion dies today is facilitated by computer-based simulation tools. The flow of... 

With advances in computer technology in recent years, simulation has often provided a very powerful tool to predict the end-use performance from the selected component properties and to establish structure-performance relations with a certain degree of confidence. This approach has been termed in silico design as opposed to in vitro or in vivo. " In silico experimentation - the ability to explore simulations rapidly reduces the need for in vivo experimentation slow, multiple iterations of trial and error for design of new composite structures. The combination of design tools and computer modeling will drive development of new thermosets, with improved performance. This includes new structures based on known materials and the development of new chemistries for selected applications. 

The computer-aided design of potent inhibitors of influenza virus sialidase based on a crystal structure of the enzyme has been described. A combination of manual molecular graphics analysis and the de novo ligand design tool GRID was used to identify modifications to the... 

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