• Title/Summary/Keyword: correction models

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Various Partial Charge Schemes on 3D-QSAR Models for P-gp Inhibiting Adamantyl Derivatives

  • Gadhe, Changdev G.;Madhavan, Thirumurthy;Kothandan, Gugan;Lee, Tae-Bum;Lee, Kyeong;Cho, Seung-Joo
    • Bulletin of the Korean Chemical Society
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    • v.32 no.5
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    • pp.1604-1612
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    • 2011
  • We developed three-dimensional quantitative structure activity relationship (3D-QASR) models for 17 adamantyl derivatives as P-glycoprotein (P-gp) inhibitors. Eighteen different partial charge calculation methods were tested to check the feasibility of the 3D-QSAR models. Best predictive comparative molecular field analysis (CoMFA) model was obtained with the Austin Model 1-Bond Charge Correction (AM1-BCC) atomic charge. The 3D-QSAR models were derived with CoMFA and comparative molecular similarity indices analysis (CoMSIA). The final CoMFA model ($q^2$ = 0.764, $r^2$ = 0.988) was calculated with an AM1-BCC charge and electrostatic parameter, whereas the CoMSIA model ($q^2$ = 0.655, $r^2$ = 0.964) was derived with an AM1-BCC charge and combined steric, electrostatic, hydrophobic and HB-acceptor parameters. Leave-five-out (LFO) cross-validation was also performed, which yielded good correlation coefficient for both CoMFA (0.801) and CoMSIA (0.656) models. Robustness of the developed models was checked further with 1000 run bootstrapping analyses, which gave an acceptable correlation coefficient for CoMFA (BS-$r^2$ = 0.997, BS-SD = 0.003) and CoMSIA (BS-$r^2$ = 0.996, BS-SD = 0.018).

Effect of homogenization models on stress analysis of functionally graded plates

  • Yahia, Sihame Ait;Amar, Lemya Hanifi Hachemi;Belabed, Zakaria;Tounsi, Abdelouahed
    • Structural Engineering and Mechanics
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    • v.67 no.5
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    • pp.527-544
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    • 2018
  • In this paper, the effect of homogenization models on stress analysis is presented for functionally graded plates (FGMs). The derivation of the effective elastic proprieties of the FGMs, which are a combination of both ceramic and metallic phase materials, is of most of importance. The majority of studies in the last decade, the Voigt homogenization model explored to derive the effective elastic proprieties of FGMs at macroscopic-scale in order to study their mechanical responses. In this work, various homogenization models were used to derive the effective elastic proprieties of FGMs. The effect of these models on the stress analysis have also been presented and discussed through a comparative study. So as to show this effect, a refined plate theory is formulated and evaluated, the number of unknowns and governing equations were reduced by dividing the transverse displacement into both bending and shear parts. Based on sinusoidal variation of displacement field trough the thickness, the shear stresses on top and bottom surfaces of plate were vanished and the shear correction factor was avoided. Governing equations of equilibrium were derived from the principle of virtual displacements. Analytical solutions of the stress analysis were obtained for simply supported FGM plates. The obtained results of the displacements and stresses were compared with those predicted by other plate theories available in the literature. This study demonstrates the sensitivity of the obtained results to different homogenization models and that the results generated may vary considerably from one theory to another. Finally, this study offers benchmark results for the multi-scale analysis of functionally graded plates.

A STUDY ON THE IMPROVEMENT OF κ-εTURBULENCE MODEL FOR PREDICTION OF THE RECIRCULATION FLOW (재순환유동 예측을 위한 κ-ε 난류모델 개선에 대한 연구)

  • Lee, Y.M.;Kim, C.W.
    • Journal of computational fluids engineering
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    • v.21 no.2
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    • pp.12-24
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    • 2016
  • The standard ${\kappa}-{\varepsilon}$ and realizable ${\kappa}-{\varepsilon}$ models are adopted to improve the prediction performance on the recirculating flow. In this paper, the backward facing step flows are used to assess the prediction performance of the recirculation zone. The model constants of turbulence model are obtained by the experimental results and they have a different value according to the flow. In the case of an isotropic flow situation, decaying of turbulent kinetic energy should follow a power law behavior. In accordance with the power law, the coefficients for the dissipation rate of turbulent kinetic energy are not universal. Also, the other coefficients as well as the dissipation coefficient are not constant. As a result, a suitable coefficients can be varied according to each of the flow. The changes of flow over the backward facing step in accordance with model constants of the ${\kappa}-{\varepsilon}$ models show that the reattachment length is dependent on the growth rate(${\lambda}$) and the ${\kappa}-{\varepsilon}$ models can be improved the prediction performance by changing the model constants about the recirculating flow. In addition, it was investigated for the curvature correction effect of the ${\kappa}-{\varepsilon}$ models in the recirculating flow. Overall, the curvature corrected ${\kappa}-{\varepsilon}$ models showed an excellent prediction performance.

Tidal Flat Simulation Characteristics of the Hydrodynamic Models (해수유동모형의 조간대 모의 특성)

  • Kang, Ju-Whan;Park, Seon-Jung;Kim, Yang-Seon;So, Jae-Kwi
    • Journal of Korean Society of Coastal and Ocean Engineers
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    • v.21 no.5
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    • pp.357-370
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    • 2009
  • EFDC, ESCORT and MIKE21 models are applied at the Gomso Bay to investigate each models' facilities of tidal flat simulation. Comparisons with observation data show that all models simulate hydrodynamic phenomena and tidal flat well. CPU time and WCM are examined to evaluate the efficiency of the models, and the effects of flooding/drying depth and bottom friction are examined to analyze models' facilities of simulating tidal flat. The EFDC model is considered to be fairly good in accuracy, stability and applicability, it is, however, poor in efficiency and its complexity. While the ESCORT model is superior to the EFDC in simulation of tidal flat, it is inferior to the EFDC in CPU time and simulation of bottom friction. The MIKE21 model is excellent in efficiency, but some numerical noise would be detected at low water, not permitting correction of the model.

Mixed-reality simulation for orthognathic surgery

  • Fushima, Kenji;Kobayashi, Masaru
    • Maxillofacial Plastic and Reconstructive Surgery
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    • v.38
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    • pp.13.1-13.12
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    • 2016
  • Background: Mandibular motion tracking system (ManMoS) has been developed for orthognathic surgery. This article aimed to introduce the ManMoS and to examine the accuracy of this system. Methods: Skeletal and dental models are reconstructed in a virtual space from the DICOM data of three-dimensional computed tomography (3D-CT) recording and the STL data of 3D scanning, respectively. The ManMoS uniquely integrates the virtual dento-skeletal model with the real motion of the dental cast mounted on the simulator, using the reference splint. Positional change of the dental cast is tracked by using the 3D motion tracking equipment and reflects on the jaw position of the virtual model in real time, generating the mixed-reality surgical simulation. ManMoS was applied for two clinical cases having a facial asymmetry. In order to assess the accuracy of the ManMoS, the positional change of the lower dental arch was compared between the virtual and real models. Results: With the measurement data of the real lower dental cast as a reference, measurement error for the whole simulation system was less than 0.32 mm. In ManMoS, the skeletal and dental asymmetries were adequately diagnosed in three dimensions. Jaw repositioning was simulated with priority given to the skeletal correction rather than the occlusal correction. In two cases, facial asymmetry was successfully improved while a normal occlusal relationship was reconstructed. Positional change measured in the virtual model did not differ significantly from that in the real model. Conclusions: It was suggested that the accuracy of the ManMoS was good enough for a clinical use. This surgical simulation system appears to meet clinical demands well and is an important facilitator of communication between orthodontists and surgeons.

ENHANCING THE PRECISION OF GPS STATIC RELATIVE POSITIONING USING THE OCEAN TIDE LOADING CORRECTION

  • Yeh, Ta-Kang;Chang, Ming-Han;Liou, Yuei-An;Chen, Chun-Sung
    • Proceedings of the KSRS Conference
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    • v.2
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    • pp.756-759
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    • 2006
  • The ocean tide loading (OTL) is an important factor for the GPS positioning, especially in the height direction. The shorter of the distance to the ocean, the larger of the error by the OTL. The influence will be changed when we measure in different place and the order of magnitude is from few centimeters to ten centimeters. In this study, more than ten kinds of the OTL models were collected and applied on the GPS static relative positioning in Taiwan. The GPS observations including five stations were obtained from Nov. 9, 2004 to Feb. 23, 2005 and we used the Bernese GPS software to execute the data processing. In this period, the average amplitudes of the 3-D coordinates are as follows: N is 0.4 cm, E is 0.7 cm, h is 1.8 cm at Kinmen station; N is 0.7 cm, E is 1.3 cm, h is 2.3 cm at Lanyu station; N is 0.5 cm, E is 0.7 cm, h is 2.0 cm at Matsu station; N is 0.6 cm, E is 0.6 cm, h is 2.0 cm at Penghu station and N is 0.5 cm, E is 1.2 cm, h is 1.7 cm at Hsinchu station. Moreover, we will analyze the advantage and disadvantage of every kind of the OTL models in different environments to offer some information to the GPS users and enhance the precision of the GPS positioning.

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Skew correction of face image using eye components extraction (눈 영역 추출에 의한 얼굴 기울기 교정)

  • Yoon, Ho-Sub;Wang, Min;Min, Byung-Woo
    • Journal of the Korean Institute of Telematics and Electronics B
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    • v.33B no.12
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    • pp.71-83
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    • 1996
  • This paper describes facial component detection and skew correction algorithm for face recognition. We use a priori knowledge and models about isolated regions to detect eye location from the face image captured in natural office environments. The relations between human face components are represented by several rules. We adopt an edge detection algorithm using sobel mask and 8-connected labelling algorith using array pointers. A labeled image has many isolated components. initially, the eye size rules are used. Eye size rules are not affected much by irregular input image conditions. Eye size rules size, and limited in the ratio between gorizontal and vertical sizes. By the eye size rule, 2 ~ 16 candidate eye components can be detected. Next, candidate eye parirs are verified by the information of location and shape, and one eye pair location is decided using face models about eye and eyebrow. Once we extract eye regions, we connect the center points of the two eyes and calculate the angle between them. Then we rotate the face to compensate for the angle so that the two eyes on a horizontal line. We tested 120 input images form 40 people, and achieved 91.7% success rate using eye size rules and face model. The main reasons of the 8.3% failure are due to components adjacent to eyes such as eyebrows. To detect facial components from the failed images, we are developing a mouth region processing module.

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Study on Static Pressure Error Model for Pressure Altitude Correction (기압 고도의 정밀도 향상을 위한 정압 오차 모델에 관한 연구)

  • Jung, Suk-Young;Ahn, Chang-Soo
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.33 no.4
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    • pp.47-56
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    • 2005
  • In GPS/INS/barometer navigation system for UAV, vertical channel damping loop was introduced to suppress divergence of the vertical axis error of INS, which could be reduced to the level of accuracy of pressure altitude measured by a pitot-static tube. Because static pressure measured by the pitot-static tube depends on the speed and attitude of the vehicle, static pressure error models, based on aerodynamic data from wind tunnel test, CFD analysis, and flight test, were applied to reduce the error of pressure altitude. Through flight tests and sensitivity analyses, the error model using the ratio of differential pressure and static pressure turned out to be superior to the model using only differential pressure, especially in case of high altitude flight. Both models were proposed to compensate the effect of vehicle speed change and used differential and static pressure which could be obtained directly from the output of pressure transducer.

Estimation of Tropospheric Zenith Delay over the Seoul-Jecheon area using GPS (GPS를 이용한 서울-제천 지역의 대류층 천정 지연 평가)

  • Kwon, Young-Cheol;Han, Uk;Park, Pil-Ho
    • Journal of the Korean earth science society
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    • v.21 no.4
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    • pp.380-388
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    • 2000
  • The estimation of tropospheric zenith delay over the Seoul-Jecheon area using GPS is presented. Over the past ten years, the world-wide industrial nations have been intensively concerned over increasing GPS surveyings in the various fields of earth science. To preserve precise positioning under various weather conditions, relationships between tropospheric zenith delay and GPS accuracy are analyzed. GPS accuracies are compared with tropospheric zenith delay produced by Bernese 4.0 software. Errors of tropospheric delay are 20cm in mean and reduced up to 5cm when tropospheric correction models are used. Correlation between error of GPS and tropospheric zenith delay plays a positive role to monitor the migration of weather front in the established Korean GPS network.

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A Two-Phase Pressure Drop Calculation Code Based on A New Method with a Correction Factor Obtained from an Assessment of Existing Correlations (기존 상관관계식들의 평가를 통해 얻은 수정계수를 사용하는 새로운 방법에 기초한 2상류 압력강하 계산코드)

  • Chun, Moon-Hyun;Oh, Jae-Guen
    • Nuclear Engineering and Technology
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    • v.21 no.2
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    • pp.73-88
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    • 1989
  • Ten methods of the total two-phase pressure drop prediction based on five existing models and correlations have been examined for their accuracy and applicability to pressurized water reactor conditions. These methods were tested against 209 experimental data of local and bulk boiling conditions : Each correlations were evaluated for different ranges of pressure, mass velocity and Quality, and best performing models were identified for each data subsets. A computer code entitled 'K-TWOPD' has been developed to calculate the total two-phase pressure drop using the best performing existing correlations for a specific property range and a correction factor to compensate for the predicted error of the selected correlations. Assessment of this code shows that the present method fits all the available data within $\pm$11% at a 95% confidence level compared with $\pm$25%, for the existing correlations.

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