• Knowledge Management Research
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• v.10 no.2
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• pp.35-48
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• 2009

The paper proposes a quantitative causal ordering map (QCOM) to combine qualitative and quantitative methods in a framework. The procedures for developing QCOM consist of three phases. The first phase is to collect partially known causal dependencies from experts and to convert them into relations and causal nodes of a model graph. The second phase is to find the global causal structure by tracing causality among relation and causal nodes and to represent it in causal ordering graph with signed coefficient. Causal ordering graph is converted into QCOM by assigning regression coefficient estimated from path analysis in the third phase. Experiments with the prediction model of Korea stock price show results as following; First, the QCOM can support the design of qualitative and quantitative model by finding the global causal structure from partially known causal dependencies. Second, the QCOM can be used as an integration tool of qualitative and quantitative model to offerhigher explanatory capability and quantitative measurability. The QCOM with static and dynamic analysis is applied to investigate the changes in factors involved in the model at present as well discrete times in the future.

• Archives of design research
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• v.13 no.2
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• pp.45-53
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• 2000

All artists set the arrangement of relative probability subjectively by giving the contrast of color and chroma to give higher probability of some colors in their works and then perform the mechanical assignment. Also the analysis of plastic structure in all areas of design has been made by subjective and qualitative method based on the emotion, intuition and experience of interpreter of design structures and that of color structures was done by the same method. Therefore this study compares and suggests the style characteristics of modern and postmodern design with the object quantitative analysis of color structure by selecting and applying Ilya Chashinik's ceramic dishes as the analysis product of modern design and Jim Melchert's ceramic wall painting as that of postmodern design of 'analysis model of color structure' researched and developed for the quantitative information analysis based on information and communication theory and it is also meaningful in introducing and presenting the analytic procedure and methods centering around quantitative analysis model of color structure analysis.

• Proceedings of the Korea Concrete Institute Conference
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• 1999.04a
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• pp.123-128
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• 1999

Recently, as a performance based design concept is introduced, assurance of expected performances on serviceability and safety in the whole span of life is exactly requested. So, quantitative assessments about durability related properties of concrete in early-age long term are come to necessary, Especially in early age, deterioration which affects long-term durability performance can be occurred by hydration heat and shrinkage, so development of reasonable hydration heat model which can simulate early age behavior is necessary. The micor-pore structure formation property also affects shrinkage behavior in early age and carbonations and chloride ion penetration characteristic in long term, So, for the quantitative assessment on durability performance of concrete, modelings of early age concrete based on hydration process and micor-pore structure formation characteristics are important. In this paper, a micromechanics based hydration heat evolution model is adopted and a quantitative model which can simulate micro-pore structure development is also verified with experimental results. The models can be used effectively to simulate the early-age behavior of concrete composed of different mix proportions.

• Journal of the Korean Chemical Society
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• v.58 no.6
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• pp.543-552
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• 2014

A quantitative structure activity relationship (QSAR) study is performed for modeling and prediction of oral bioavailabilities of 216 diverse set of drugs. After calculation and screening of molecular descriptors, linear and nonlinear models were developed by using multiple linear regression (MLR), artificial neural network (ANN), support vector machine (SVM) and random forest (RF) techniques. Comparison between statistical parameters of these models indicates the suitability of SVM over other models. The root mean square errors of SVM model were 5.933 and 4.934 for training and test sets, respectively. Robustness and reliability of the developed SVM model was evaluated by performing of leave many out cross validation test, which produces the statistic of $Q^2_{SVM}=0.603$ and SPRESS = 7.902. Moreover, the chemical applicability domains of model were determined via leverage approach. The results of this study revealed the applicability of QSAR approach by using SVM in prediction of oral bioavailability of drugs.

• Water Engineering Research
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• v.3 no.2
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• pp.113-122
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• 2002

Accurate quantitative forecasting of rainfall for basins with a short response time is essential to predict flash floods. In this study, a Quantitative Flood Forecasting (QFF) model was developed by incorporating the evolving structure and frequency of intense weather systems and by using neural network approach. Besides using radiosonde and rainfall data, the model also used the satellite-derived characteristics of storm systems such as tropical cyclones, mesoscale convective complex systems and convective cloud clusters as input. The convective classification and tracking system (CCATS) was used to identify and quantify storm properties such as lifetime, area, eccentricity, and track. As in standard expert prediction systems, the fundamental structure of the neural network model was learned from the hydroclimatology of the relationships between weather system, rainfall production and streamflow response in the study area. All these processes stretched leadtime up to 18 hours. The QFF model will be applied to the mid-Atlantic region of United States in a forthcoming paper.

• Structural Monitoring and Maintenance
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• v.10 no.2
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• pp.175-190
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• 2023

This article aims to quantitatively predict the snowmelt in extreme cold regions, considering a combination of grayscale and neural models. The traditional non-equidistant GM(1,1) prediction model is optimized by adjusting the time-distance weight matrix, optimizing the background value of the differential equation and optimizing the initial value of the model, and using the BP neural network for the first. The adjusted ice forecast model has an accuracy of 0.984 and posterior variance and the average forecast error value is 1.46%. Compared with the GM(1,1) and BP network models, the accuracy of the prediction results has been significantly improved, and the quantitative prediction of the ice sheet is more accurate. The monitoring and maintenance of the structure by quantitative prediction model by gray models was clearly demonstrated in the model.

• Journal of Integrative Natural Science
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• v.4 no.3
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• pp.210-215
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• 2011

Holographic quantitative structure-activity relationships (HQSAR) is a useful tool to correlates structures with their biological activities. HQSAR is a two dimensional (2D) QSAR methodology, which generates QSAR equations through 2D fingerprint and correlates it with biological activity. Here, we report a 2D-QSAR model for a series of fifty-one 3,4-dihydroxychalcones derivatives utilizing HQSAR methodology. We developed HQSAR model with 6 optimum numbers of components (ONC), which resulted in cross-validated correlation coefficient ($q^2$) of 0.855 with 0.283 standard error of estimate (SEE). The non-cross-validated correlation coefficient (r2) with 0.966 indicates the model is predictive enough for analysis. Developed HQSAR model was binned in to a hologram length of 257. Atomic contribution map revealed the importance of dihydroxy substitution on phenyl ring.

• Bulletin of the Korean Chemical Society
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• v.30 no.11
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• pp.2717-2722
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• 2009

The use of the classification and regression tree (CART) methodology was studied in a quantitative structure-activity relationship (QSAR) context on a data set consisting of the binding affinities of 39 imidazobenzodiazepines for the α1 benzodiazepine receptor. The 3-D structures of these compounds were optimized using HyperChem software with semiempirical AM1 optimization method. After optimization a set of 1481 zero-to three-dimentional descriptors was calculated for each molecule in the data set. The response (dependent variable) in the tree model consisted of the binding affinities of drugs. Three descriptors (two topological and one 3D-Morse descriptors) were applied in the final tree structure to describe the binding affinities. The mean relative error percent for the data set is 3.20%, compared with a previous model with mean relative error percent of 6.63%. To evaluate the predictive power of CART cross validation method was also performed.

• Bulletin of the Korean Chemical Society
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• v.26 no.1
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• pp.85-90
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• 2005

MX and its analogs are synthesized and modeled by quantitative structure activity relationship (QSAR) study including comparative molecular field analysis (CoMFA). As a result, factors affecting this class of compounds have been found to be steric and electrostatic effects. Because hologram quantitative structure activity relationship (HQSAR) technique is based on the 2-dimensional descriptors, this is free of ambiguity of conformational selection and molecular alignment. In this study we tried to include all the data available from the literature, and modeled with the HQSAR technique. Among the parameters affecting fragmentation, connectivity was the most important one for the whole compounds, giving good statistics. Considering additional parameters such as bond specification only slightly improved the model. Therefore connectivity has been found to be the most appropriate to explain the mutagenicity for this class of compounds.

• Journal of Integrative Natural Science
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• v.10 no.3
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• pp.141-147
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• 2017

Vascular endothelial growth factor (VEGF) is an important signaling protein involved in angiogenesis, which is the formation of new blood vessels from pre-existing vessels. Consequently, blocking of the vascular endothelial growth factor receptor (VEGFR-2) by small molecule inhibitors leads to the inhibition of cancer induced angiogenesis. In this study, we performed a two dimensional quantitative structure activity relationship (2D-QSAR) study of 38 N-Phenyl-N'-{4-(4-quinolyloxy) phenyl} urea derivatives as VEGFR-2 inhibitors based on hologram quantitative structure-activity (HQSAR). The model developed showed reasonable $q^2=0.521$ and $r^2=0.932$ values indicating good predictive ability and reliability. The atomic contribution map analysis of most active compound (compound 7) indicates that hydrogen and oxygen atoms in the side chain of ring A and oxygen atom in side chain of ring C contributes positively to the activity of the compounds. The HQSAR model developed and the atomic contribution map can serve as a guideline in designing new compounds for VEGFR-2 inhibition.