Prediction relationship

Moreover, molecular modeling is one key method of a wide range of computer-assisted methods to analyze and predict relationships between protein sequence, 3D-molecular structure, and biological function (sequence-structure-function relationships). In molecular pharmacology these methods focus predominantly on analysis of interactions between different proteins, and between ligands (hormones, drugs) and proteins as well gaining information at the amino acid and even to atomic level. 

Anderson, B. D., Conradi, R. A., Predictive relationships in the water solubility of salts of a nonsteroidal anti-inflammatory drug, J. Pharm. Sci. 74, 815-820 (1985). 

Burken, J.G. and Schnoor, J.L., Predictive relationships for uptake of organic compounds following uptake by hybrid poplars, Environ. Sci. Technol., 32, 3379-3385, 1998. 

When the rates of sorption or desorption processes are known, environmental fate modeling can provide an educated estimate and prediction on the accessibility and bioavailability of a target pollutant to a specific transport mechanism in the environment. Hence, the present chapter is an attempt to assess fate (i.e., in terms of pollutant mobility using predictive sorption or desorption coefficients) as well as effects (i. e., in terms of bioavailability) of various pollutants and to correlate these observations for development of predictive relationships. 

If a population is large, and if individuals mate at random with respect to their genotypes at a locus, the population should be in Hardy-Weinberg equiUbrium, which means that there is a constant and predictable relationship between genotype frequencies and gene frequencies. This allows us to estimate genotype frequencies if we know gene frequencies, and vice versa. 

Assuming random mating, the Hardy-Weinberg principle specifies a predictable relationship between gene and genotype frequeicies in populations. It can be applied to estimate the frequency of heterozygous carriers of an autosomal recessive mutation. 

A set of risk hypotheses that describe predicted relationships among stressor, exposure, and assessment endpoint response, along with the rationale for their selection... 

LMWH has greater bioavailability than standard heparin, a longer-lasting effect, and dose-independent clearance pharmacokinetics. The predictable relationship between anticoagulant response and dose allows... 

There are two predictive relationships based on wind speed. Liss and Merlivat (1986) used a physical rationale to explain the increase in the Kl versus wind speed slope at higher wind velocities in wind-wave tunnel and lake measurements, resulting in a piecewise linear relationship with two breaks in slope. These breaks are presumed to occur at the transition between a smooth surface and a rough surface and between a rough surface and breaking waves. In dimensionless form, this relationship is given as... 

It is not possible to discuss real-time control without a brief discussion of sensors and the measurements they represent. In traditional process control, the measurements and the properties to be controlled are identical. For instance, one controls the temperature of a fluid using feedback from a thermocouple. There is also generally a fairly predictable relationship between the measurement and the forcing function necessary to change that measurement. Except for unusually simple cases, that is not true of polymer processing. The multiple, complex properties to be controlled cannot be measured and are not always... 

Blumenthal et al. (15) reported that psychotic features in both unipolar and bipolar disorders were indicative of an earlier age of onset and first hospitalization in comparison with their nonpsychotic counterparts. Age of onset for the first episode was found to be earlier in the bipolar group regardless of psychotic categorization. Furthermore, the authors hypothesize that delusional depressions may be related to bipolar disorder, given a higher prevalence of the latter in relatives, and postulate a predictive relationship between psychoticism and bipolarity. 

The apparent ability of simple absorption band measurements to provide direct information about kinetic barriers to electron transfer constitutes a significant demonstration of the predicted relationship between optical and thermal electron transfer. Turning the argument around, it is possible to use variations in EoP with solvent, which are easily measured, to gain insight into solvent effects in thermal electron transfer. For example, equation (70) in the form of equation (74) has... 

The search for relationships among the dynamic and equilibrium properties of related series of compounds has been a paradigm of chemists for many years. The discovery of such unifying principles and predictive relationships has practical benefits. Numerous relationships exist among the structural characteristics, physicochemical properties, and/or biological qualities of classes of related compounds. Perhaps the best-known attribute relationships are the correlations between reaction rate constants and equilibrium constants for related reactions commonly known as linear tree-energy relationships (LFERs). The LFER concept led to the broader concepts of QSARs, which seek to predict the environmental fate of related compounds based on correlations between their bioactivity or physicochemical properties and structural features. For example, therapeutic response, environmental fate, and toxicity of organic compounds have been correlated with... 

Cao, Y. et al. (2004) Predictive relationships for the effects of triglyceride ester concentration and water uptake on solubility and partitioning of small molecules into lipid vehicldsPharm. Sci., 93 2768-2779. 

Conceptual models link anthropogenic activities with stressors and evaluate the relationships among exposure pathways, ecological effects, and ecological receptors. The models also may describe natural processes that influence these relationships. Conceptual models include a set of risk hypotheses that describe predicted relationships between stressor, exposure, and assessment end point response, along with the rationale for their selection. Risk hypotheses are hypotheses in the broad scientific sense they do not necessarily involve statistical testing of null and alternative hypotheses or any particular analytical approach. Risk hypotheses may predict the effects of a stressor, or they may postulate what stressors may have caused observed ecological effects. 

The second objective is to verify experimentally the predicted relationship between polymer polarity and surfactant adsorption by studying the adsorption of a non ionic surfactant that shows a saturation type isotherm behavior on vinyl acrylic latexes of varying polarity. 

The extent of metal complexation for a given set of solution conditions varies widely among metals of interest in aquatic systems, and chemists have sought for many years to develop predictive relationships and a rational basis for understanding metal-to-metal patterns of complexation. Three approaches have been widely used ... 

Several field gradient studies revealed predictive relationships between chemical stressors and biotic responses. For example, exposure to mixtures of heavy metals has shown concentration-response relationships with macroinvertebrate community indices (Hickey and Clements 1998 (dements et al. 2000). This indicates that response thresholds for ecological indicators (e.g., species diversity and EPT taxa) may be available for use in toxic impacts, providing the nature of the toxicant is known (e.g., metals, organics, and ammonia). The field studies have shown strong concentration-response relationships with stressors, with metal response related to the cumulative criterion unit (CCU) value for the sum of the metals present (Hickey and Clements 1998 Clements et al. 2000). The CCU concept was discussed in greater detail in Chapter 5. 

They observed that the range of compositions was broader for the PS/PDMS pair having the smaller viscosity ratio. This tendency is in good agreement with the predicted relationship [11-14] ... 

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