Prediction domain

Effective Prediction Domain Similarly, for regression-like models, especially when the model descriptors are significantly correlated, Mandel [39] proposed the formulation of effective prediction domain (EPD). It has been demonstrated, with examples, that a regression model is justified inside and on the periphery of the EPD. Clearly, if a compound is determined to be too far from the EPD, its prediction from the model should not be considered reliable. 

Minimization of the total free energy (sum of eqns 2.2 and 2.3) with respect to d leads to a predicted domain spacing scaling as (Semenov 1985)... 

Every model has limitations. Even the most robust and best-validated regression model will not predict the outcome for all catalysts. Therefore, you must define the application domain of the model. Usually, interpolation within the model space will yield acceptable results. Extrapolation is more dangerous, and should be done only in cases where the new catalysts or reaction conditions are sufficiently close to the model. There are several statistical parameters for measuring this closeness, such as the distance to the nearest neighbor within the model space (see the discussion on catalyst diversity in Section 6.3.5). Another approach uses the effective prediction domain (EPD), which defines the prediction boundaries of regression models with correlated variables [105]. 

Fig. 12. Predicted domain structure of the small calcium-binding protein BM-40/os-teonectin/SPARC. Numbering is according to the sequence of SPARC (Mason et al., 1986a), but omits the signal peptide. A dashed line denotes predicted a helix, C identifies cysteine residues, and + indicates clusters of basic residues. A potential calcium-binding domain of the EF type is noted as well as a cluster of glutamic acids. Modified from Engel et al. (1987).

While the phase diagram is only for one composition, perhaps it will be helpful in suggesting future experiments. Existing theory of phase separation for IPN s (21) predict domain wavelengths which are both larger and smaller than the typical distances between network crosslinks. In the latter case, they anticipate a coarsening of the structure until the domain size becomes comparable to the distances between crosslinks. This latter corresponds to the 60 nm domain size determined from the shoulder of the SANS patterns. 

Fig. 2. Predicted domain organisation of the DEBS Proteins. Ketoacyl Synthase (KS) Acyl Transferase (AT) Dehydratase (DH) Enoyl Reductase (ER) Keto Reductase (KR) Acyl Carrier Protein (ACP) Thioesterase (TE). Each domain is represented by a box with coded shading whose length is proportional to the size of the domain (KR) indicates an inactive KR domain. The ruler indicates the residue number within the primary structure of the constituent proteins. Linker regions are shown in proportion...

Wheelan, S. J., A. Marchler-Bauer, and S. H. Bryant. 2000. Domain size distributions can predict domain boundaries. Bioinformatics 16 613-8. 

Fig. 5. Predicted domain organization and biosynthetic intermediates of the erythromycin synthase. Each circle represents an enzymatic domain as follows ACP, acyl carrier protein AT, acyl-transferase DH, dehydratase ER, P-ketoacyl-ACP enoyl reductase KR, [3-ketoacyl-ACP reductase KS, p-ketoacyl-ACP synthase TE, thioesterase. Zero indicates dysfunctional domain.

Fig. 6. Predicted domain organization and biosynthetic intermediates of the tylosin synthase. Each circle represents an enzymatic domain as defined in Fig. 5.

Electron microscopy measurements on a very thin film of a styrene-isoprene block copolymer of 15,000 and 75,000 bloek molecular weights indicated that the polystyrene blocks form a spherical morphology with domains of 260 A diameter (Meier, 1969). Calculate the predicted domain size for this morphology (K = 0.670 A and assume a = 1.2). 

The three theoretically predicted domain types and their dependence on block length ratio are actually experimentally found (Figure 5-33). The experimentally found composition ratio for the occurrence of cylinders of 60/40 does not, of course, completely agree with the theoretically required values of 70/30 to 80/20. This effect, however, can be traced to the fact that the films were cast from solution. The coil dimensions change with the quality, or goodness, of the solvent, and these dimensions are more or less frozen in on removal of the solvent. Thus, the morphology of the block polymer depends not only on the block composition, but also on the preparation conditions (Table 5-9). 

Hofimann, S. and Soyez, K. (2010), "A cognitive model to predict domain-specific consumer innovativeness," Journal of Business Research, 63 (7), 778-85. 

Thus, the domain diameters of the second polymerized polymer may be predicted solely on the knowledge of the networks and their interaction. Equation (3) predicts domains of the order of 300-800 A for many IPN s of interest, in general agreement with experiment. Strictly speaking, equation (3) is valid only for small volume fractions of network II, since it is based on a spherical model. As will be illustrated further below, recent experiments suggest that the dual phase continuous structure of the IPN s arises from a modified type of spinodal decomposition. 

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