Model Features

Gas-liquid contacting systems can be modelled in a manner similar to liquid-liquid contactors. There are however some modelling features which are peculiar to gas-liquid systems. The single well-mixed contacting stage is shown in Fig 3.56. 

QSAR means quantitative SAR. It is a model that relates the chemical structure to an activity. In the so-called SAR the quantitative aspect of the phenomenon is not addressed, and the study refers to categories, such as toxic and non toxic. In a certain way, this is a simplified version of the QSAR model. The expression QSAR sometimes covers both cases. If the modeled feature is a property, the expression QSPR is also used. 

Special Requirements and Advanced Modeling Features for the Chemical Industry... 

Model Features CFDRC Fluent Penn State U. STAR-CD Japan STAR-CD N. America U. Kansas U. Miami U. South Carolina U. Victoria... 

Finally, targeted active demethylation has been put forward as an explanation for the unmethylated state of CpG islands (Fig. 3e). In this model, features of active chromatin structure (e.g., histone hyperacetylation) cause active demethylation of associated sequences [43,44]. Based on a broad analysis of existing data, Szyf... 

This procedure assessed whether some of the different descriptors used by different equations were intercorrelated and, therefore, interchangeable [59]. The remaining diverse QSAR equations were further classified by size (number of descriptors they include). The best equations of each encountered size were kept for final validation with the VS molecules and for further analysis. Consensus models featuring average predictions over these equations were also generated and validated. We focus here on the discussion of the minimalist overlay-independent and overlay-based QSAR models, each including only six descriptors, and refer to the optimal consensus model of the overlay-based QSAR approach families for comparative purposes. 

S)-warfarin were used as the templates. This substrate superposition was supported by an NMR study measuring distances between the heme-iron and the substrate protons (66). The model featured (1) anionic heteroatom (A-) at a distance of approx 4 A from a hypothetical cationic site (C+) of the protein,... 

Dispersion Modeling Feature Articles, http //www.environmental-expert.com/article-index.htp. 

For spherical micelles, one of the more commonly accepted models for the micellar structure is that proposed by Gruen (Fig. 1). This model features a rather sharp interface between a dry hydrophobic hydrocarbon core and a region filled with surfactant headgroups, part of the counterions (for ionic surfactants), backfolding surfactant tails, and water, namely, the Stern region. In the remainder of this chapter, intramicelle volumes with specific features such as the Stern region and the hydro-phobic core will be referred to as zones. ... 

Growth model Driving force/model features... 

This model features four equalities, five variables and has linear objective function and constraints. Its solution obtained via GAMS/MINOS is ... 

Table 7.5 Best fitting models feature composition and FI values.

The "variational type of multi-scale CFD, here, refers to CFD with meso-scale models featuring variational stability conditions. This approach can be exemplified by the coupling of the EMMS model (Li and Kwauk, 1994) and TFM, where the EMMS/matrix model (Wang and Li, 2007) at the subgrid level is applied to calculate a structure-dependent drag force. 

Figure 7.2 Multidimensional structural data produced by predictive models, featuring integrated methods and parallel processing of drug candidates for metabolic (Rourick et al., 1998) and chemical (Fink et al., 1997) stability.

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