Design tools from graphical analysis

KARMA is an interactive computer assisted drug design tool that incorporates quantitative structure-activity relationships (QSAR), conformational analysis, and three-dimensional graphics. It represents a novel approach to receptor mapping analysis when the x-ray structure of the receptor site is not known, karma utilizes real time interactive three-dimensional color computer graphics combined with numerical computations and symbolic manipulation techniques from the field of artificial intelligence. [Pg.147]

Founded in 1999, InforSense markets a workflow engine known as Open Discovery Workflow, originating from Imperial College in London. The company s flagship software product is the Knowledge Discovery Environment (KDE) that supports a number of horizontal and vertical applications for life sciences discovery in addition to a graphical tool for the design and analysis of workflows. [Pg.436]

Laminate failure envelope analysis determines the combinations of selected load components that cause the failure of a laminate. Envelopes are constructed from the results of consecutive failure analyses, A computer code for creating failure envelopes is useful since the envelope in graphical form displays clearly the load-carrying capability of the laminate. Such a tool should allow the designer ... [Pg.382]

UML is the most widely used graphical notation for object-oriented analysis and design and is supported by a wide range of tools. Most tools can generate code skeletons from UML diagrams some go further and claim to generate complete code if enough information is provided. [Pg.40]

Advanced EMR methods may be used to conduct quantitative measurements of nuclear hyperfine interaction energies, and these data, in turn, may be used as a tool in molecular design because of their direct relation to the frontier orbitals. The Zeeman field dependence of hyperfine spectra enables one to greatly improve the quantitative analysis of hyperfine interaction and assign numeric values to the parametric terms of the spin Hamiltonian. Graphical methods of analysis have been demonstrated that reduce the associated error that comes from a multi-parameter fit of simulations based on an assumed model. The narrow lines inherent to ENDOR and ESEEM enable precise measures of peak position and high-resolution hyperfine analyses on even powder sample materials. In particular, ESEEM can be used to obtain very narrow lines that are distributed at very nearly the zero-field NQI transition frequencies because of a quantum beating process that is associated with... [Pg.132]

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