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Model GRID-based

GRID method grid-based QSAR techniques > grid-based QSAR model —> grid-based QSAR techniques... [Pg.351]

Urban Airshed Model (UAM) is a du-ee-dimensional grid based photochemical sinuudtion model for urban scale domains. [Pg.385]

V, ip, x, and t) in the PDF transport equation makes it intractable to solve using standard discretization methods. Instead, Lagrangian PDF methods (Pope 1994a) can be used to express the problem in terms of stochastic differential equations for so-called notional particles. In Chapter 7, we will discuss grid-based Eulerian PDF codes which also use notional particles. However, in the Eulerian context, a notional particle serves only as a discrete representation of the Eulerian PDF and not as a model for a Lagrangian fluid particle. The Lagrangian Monte-Carlo simulation methods discussed in Chapter 7 are based on Lagrangian PDF methods. [Pg.306]

Because of this increase in the VOC/NOa ratio as the air mass moves downwind, isopleths appropriate for one portion of an air basin, e.g., the upwind portion, will not necessarily be applicable to other regions, such as the downwind areas. The development of sophisticated grid-based models and their application to entire air basins have allowed modelers to include continuing emissions, transport, and transformation processes (see Section A.3). [Pg.884]

Models currently in use for developing control strategy options are grid-based, or Eulerian, models, the... [Pg.893]

For example, Kumar and Russell (1996) examined the effect on predicted ozone levels in the Los Angeles area of two different approaches now used for incorporating meteorology into a grid-based Eulerian model. The diagnostic approach is based on field measurements of the needed meteorological variables and in-... [Pg.894]

GRID-based Pharmacophore Models Concept and Application Examples... [Pg.151]

The GRID-based pharmacophore model (GBPM) is created in a six-step procedure as depicted in Fig. 7.1. [Pg.152]

Ortuso, F., Langer, T., Alcaro, S. GBPM GRID based pharmacophore model. Concept and application studies to protein-protein recognition. Bioinformatics, Advanced Access March 27, 2006, doi ... [Pg.169]

Cellware Bioinformatics Institute—Singapore Grid-based modeling and simulation tool... [Pg.24]

The various approaches to discriminate between models and to test a given model s adequacies have been treated above, and focus is given here on the design criterion A simple approach can be followed to determine the maximum divergence between model predictions Based on statistical considerations for two models, a simple expression was derived to measure the divergence D(x ) at the experimental settings x of the experimental grid... [Pg.320]

We established [54] that, in conjunction with 2D-based descriptors, ChemGPS can provide global chemical space coordinates by performing extensive comparisons with GRID-based principal properties for heteroaromatic compounds [59], principal properties ( z-scores ) of a-amino acids [60], as well as by comparison to several local PCA models. The initial ChemGPS map turned out to be 9-dimensional [54]. [Pg.258]


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Grid-based pharmacophore model

Grid-based pharmacophore model GBPM)

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