Region selection analysis

SJ Cho, A Tropsha. Cross-validated R2-guided region selection for comparative molecular held analysis A simple method to achieve consistent results. J Med Chem 38 1060-1066, 1995. 

The variable selection methods have been also adopted for region selection in the area of 3D QSAR. For example, GOLPE [31] was developed with chemometric principles and q2-GRS [32] was developed based on independent CoMFA analyses of small areas of near-molecular space to address the issue of optimal region selection in CoMFA analysis. Both of these methods have been shown to improve the QSAR models compared to original CoMFA technique. 

Sadler, B.R., Cho, S.J., Ishaq, K.S., Chae, K., and Korach, K.S., Three-dimensional quantitative structure-activity relationship study of nonsteroidal estrogen receptor ligands using the comparative molecular field analysis cross-validated r2-guided region selection approach, J. Med. Chem., 41, 2261-2267, 1998. 

Figure 4. A diagram showing the importance of staining quality, image quality, the algorithm, and region selection in image analysis. See text for explanation.

Although the three remaining subsites of the PPAR LED exhibited less variation than the distal pockets, the CRID/CPCA calculations revealed some scope for selective interactions, in particular with the OH and C3 probes within the linker and head regions. This analysis agreed well with site-directed mutagenesis experiments, as well as the selectivity of known inhibitors. 

K., Korach, K.S. Three-Dimensional Structure-Activity Relationship Study of Nonsteroidal Estrogen Receptor Ligands Using the Comparative Molecular Field Analysis/Cross-Validated r -Guided Region Selection Approach,/. Med. Chem. 1998, 41, 2261-2267. 

They can be used directly in protein families in order to perform selectivity analysis based on consensus principal component analysis methodology. This technique helps to identify regions in the protein space that are selective for one enzyme. The selective region may describe the selective pattern of the target proteins. Moreover, this information can be used to compare different models of the same enzyme. 

Cho, S.J. and Tropsha, A. (1995). Cross-Validated i -Guided Region Selection for Comparative Molecular Field Analysis A Simple Method to Achieve Consistent Results. J.Med.Chem., 38, 1060-1066. 

Fig. 1. Statistical classification strategy (SCS) a schematic road map of how the SCS method is developed for individual databases. GA ORS, genetic algorithm based optimal region selection LDA, linear discriminant analysis LOO, leave-one-out (method of cross-validation) coeff, coefficients.

Grid Cell Occupancy Descriptors grid-based QSAR techniques (0 4D-QSAR analysis) grid region selection methods variable selection... 

Fig. 3. Defining orthologous gene and region for analysis.(A) Species and a gene are selected by the radio button. As the CONREAL web tool only supports pair wise analyses, only a single species can be selected simultaneously. (B) The analysis region can be specified by providing the start and end positions relative to the beginning of the gene.

Analysis of the individual KGDHC subunits does not reveal a regional selective change either. Western blots and immunocytochemistry reveal different aspects of... 

Seismic hazard analysis which involves collection of seismicity and seismotectonic of the region, selection of predictive relationship to arrive at controlling earthquake... 

Selected-area electron diffraction (SAD) is a basic TEM technique to obtain diffraction information from a part of the specimen. A selected-area aperture is inserted below the sample holder and in the image plane of the objective lens. Only the area selected by the aperture on the screen contributes to the SAD pattern. In case of polycrystalline specimens, if more than one crystal contributes to the SAD pattern, it can be difficult or impossible to analyze. As such, it is useful to select a single crystalline region for analysis at a time. It may also be useful to select two crystals at a time, in order to examine the crystallographic orientation between them. 

In many cases, band selection can be based on simple observation of the Raman spectrum combined with chemical knowledge of the system. The bands known to be providing the information can be used and the others discarded from the calibration. Most analysis packages allow some sort of manual spectral region selection. Some calibration techniques such as partial least squares (PLS, discussed later) will automatically base their prediction on only the spectral features which provide useful predictive information. Bands... 

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