• 제목/요약/키워드: topological data analysis

검색결과 102건 처리시간 0.028초

4D-QSAR Study of p56Ick Protein Tyrosine Kinase Inhibitory Activity of Flavonoid Derivatives Using MCET Method

  • Yilmaz, Hayriye;Guzel, Yahya;Onal, Zulbiye;Altiparmak, Gokce;Kocakaya, Safak Ozhan
    • Bulletin of the Korean Chemical Society
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    • 제32권12호
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    • pp.4352-4360
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    • 2011
  • A four dimensional quantitative structure activity relationship analysis was applied to a series of 50 flavonoid inhibitors of $p56^{lck}$ protein tyrosine kinase by the molecular comparative electron topological method. It was found that the -log (IC50) values of the compounds were highly dependent on the topology, size and electrostatic character of the substituents at seven positions of the flavonoid scaffold in this study. Depending on the negative or positive charge of the groups correctly embedded in these substituents, three-dimensional bio-structure to increase or decrease -log (IC50) values in the training set of 39 compounds was predicted. The test set of 11 compounds was used to evaluate the predictivity of the model. To generate 4D-QSAR model, the defined function groups and pharmacophore used as topological descriptors in the calculation of activity were of sufficient statistical quality ($R^2$ = 0.72 and $Q^2$ = 0.69). Ligand docking approach by using Dock 6.0. These compounds include many flavonoid analogs, They were docked onto human families of p56lck PTKs retrieved from the Protein Data Bank, 1lkl.pdb.

A STUDY ON THE CORRELATION BETWEEN GROUND SUBSIDENCE AREA NEAR ABANDONED UNDERGROUND COAL MINE AND GEOPHYSICAL PROSPECTING DATA USING GIS

  • Kim Ki-Dong;Choi Jong-Kuk;Won Joong-Sun
    • 대한원격탐사학회:학술대회논문집
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    • 대한원격탐사학회 2005년도 Proceedings of ISRS 2005
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    • pp.325-328
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    • 2005
  • To estimate presumptive local ground subsidence area near Abandoned Under ground Coal Mine(AUCM) at Samcheok city in Korea, the geological properties of existing ground subsidence area and the geophysical prospecting data were analyzed using GIS. The electrical resistivity survey and seismic reflection survey database were constructed from investigation reports and factors which are related with ground subsidence such as geological map, topological map, land use map, lineament map, groundwater level, RMR (Rock Mass Rating), mining tunnel map and slope database were constructed also to make a comparative study of each parameters. As a result of the spatial analysis of existing ground subsidence area, 9 major factors causing ground subsidence were extracted and a connection between the structure of underground and the ground subsidence was determined from the analysis of geophysical prospecting data. The estimation of presumptive ground subsidence area was performed using the correlation between the result from neural network analysis of 9 factors and the scrutiny of geophysical prospecting data.

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시공간적으로 확장된 토폴로지를 이용한 개인 환경간 상호작용 파악 공간 분석 (Spatial Analysis to Capture Person Environment Interactions through Spatio-Temporally Extended Topology)

  • 이병재
    • 대한지리학회지
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    • 제47권3호
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    • pp.426-439
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    • 2012
  • 본 연구의 목적은 정성적인 개인의 공간 행동을 파악하고 행동 원인을 유추해 볼 수 있는 새로운 방법을 제안하는 것이다. 이동 객체의 단순한 기하학적인 움직임에 초점을 맞추는 것을 넘어서서, 사람과 환경 사이의 관계 변화 내지는 상호작용을 파악하여 이동 객체의 행동 특성을 분석할 수 있는 모델을 제시하고자 한다. 특히, 본 연구에서는 특정 지역의 경계 근처에서의 이동 객체의 움직임에 중점을 두고 분석하였다. 이동 객체의 영향력 범위를 적용하는 새로운 접근 방법을 이용하여 정성적인 개인 공간행위 특성을 파악하였다. 본 연구에서는, 이러한 객체를 시공간적으로 확장된 점(STEP)이라 명명하였으며, 그 영향력 범위를 그 객체의 위치와 함께 잠재적 사건이나 주변과의 상호작용이 가능한 구역으로 정의한다. STEP과 특정공간간의 관계 정량화를 위해, 위상 데이터 모델을 기반으로 2차원 공간에서의 특정 영역과 STEP 사이의 위상 관계를 나타내는 12 교차점 모델이 이용되었다. 이 연구에서는 이러한 STEP 개념의 관점에서, GPS추적 데이터를 이용한 프로토타입 응용 분석결과가 제공되었다.

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위상분석을 통한 모션캡처 데이터의 자동 포즈 비교 방법 (Automatic Pose similarity Computation of Motion Capture Data Through Topological Analysis)

  • 성만규
    • 한국정보통신학회논문지
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    • 제19권5호
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    • pp.1199-1206
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    • 2015
  • 본 논문은 위상분석 기법을 이용하여, 스켈레톤의 크기, 조인트의 개수, 조인트 이름이 다른 모션들에 대한 유사도를 자동으로 계산하는 알고리즘을 제안한다. 제안하는 알고리즘은 스켈레톤의 계층구조와 기본포즈를 분석하여 k 개의 조인트 그룹으로 자동 분류하며, 분류된 조인트 그룹은 조인트의 전역 위치를 이용한 포인트 클라우드로 변환된다. 이 때, 비교 대상이 되는 각 그룹의 포인트 클라우드 내 포인트의 위치는 스켈레톤의 크기를 고려하여 자동으로 조정되며, 포인트 개수 또한 자동으로 일치하게 된다. 비교 대상이 되는 두 포인트 클라우드들은 유사도 계산을 위해 거리 값을 최소로 하는 최적의 2D변환 행렬을 구하게 되며, 이 행렬을 적용 후 나타나는 포인트 간의 거리의 합을 최종 유사도 값으로 결정한다. 실험을 통해, 제안하는 알고리즘은 스켈레톤의 크기, 조인트의 개수, 조인트 이름에 상관없이 유사도 값을 계산해 줌을 알 수 있었다.

GIS의 지형자료 구축을 위한 SCANNING 방법의 오차분석 (A Error Analysis of Scanning for Topological Data Construction in Geographic Information Systems)

  • 유환희
    • 한국측량학회지
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    • 제10권2호
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    • pp.37-44
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    • 1992
  • 스캐너가 다른 입력장치에 비해 가격이 비싸지만 최근 래스터 스캐너와 백터라이징 소프트웨어가 GIS의 자료입력을 위해 사용되고 있으며 앞으로 널리 활용될 것이 기대되고 있다. 본 연구에서는 스캐닝기법에 의한 자료입력과정에서 래스터 데이터와 백터라이징의 정확도 및 커버리지 생성에 대해 분석하였다. 그 결과 낮은 dpi값으로 스캐닝하므로 해서 발생되는 해상력의 저하는 히스토그램 분석과 선강조방법에 의해 해상력을 향상시킬 수 있었으며, 래스터 데이터의 저장용량과 커버리지의 PMSE로 고려할 때 스캐너의 dpi값은 150 dpi나 200 dpi값이 바람직하다고 판단되었다. 또한 백터라이징 과정에서 래스터 데이타의 추적을 위해 추적매개변수의 선택은 매우 중요한 역할을 하고 있다.

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Topological optimized design considering dynamic problem with non-stochastic structural uncertainty

  • Lee, Dong-Kyu;Starossek, Uwe;Shin, Soo-Mi
    • Structural Engineering and Mechanics
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    • 제36권1호
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    • pp.79-94
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    • 2010
  • This study shows how uncertainties of data like material properties quantitatively have an influence on structural topology optimization results for dynamic problems, here such as both optimal topology and shape. In general, the data uncertainties may result in uncertainties of structural behaviors like deflection or stress in structural analyses. Therefore optimization solutions naturally depend on the uncertainties in structural behaviors, since structural behaviors estimated by the structural analysis method like FEM need to execute optimization procedures. In order to quantitatively estimate the effect of data uncertainties on topology optimization solutions of dynamic problems, a so-called interval analysis is utilized in this study, and it is a well-known non-stochastic approach for uncertainty estimate. Topology optimization is realized by using a typical SIMP method, and for dynamic problems the optimization seeks to maximize the first-order eigenfrequency subject to a given material limit like a volume. Numerical applications topologically optimizing dynamic wall structures with varied supports are studied to verify the non-stochastic interval analysis is also suitable to estimate topology optimization results with dynamic problems.

Classification and Regression Tree Analysis for Molecular Descriptor Selection and Binding Affinities Prediction of Imidazobenzodiazepines in Quantitative Structure-Activity Relationship Studies

  • Atabati, Morteza;Zarei, Kobra;Abdinasab, Esmaeil
    • Bulletin of the Korean Chemical Society
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    • 제30권11호
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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.

NETWRK을 이용한 쇄파대 생태계의 탄소수지와 네트웍 해석 (Carbon Budget and Network Analysis of a Surf Zone Ecosystem by NETWRK)

  • 강윤호
    • 한국수산과학회지
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    • 제37권1호
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    • pp.33-43
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    • 2004
  • A carbon budget model was constructed and analyzed for the Bangjukpo surf zone ecosystem in southern Korea by using the NETWRK. The model consists of 11 living and 1 non-living groups. Using boxes and arrows, a topological map was created to depict biomasses of each group and exchange rates between them. The system includes primary producers of phytoplankton and benthic algae, primary consumers of particle feeding zooplankton, carnivorous zooplankton, meiobenthos, malacostracans and bivalves, and top consumers of detrivorous, omnivorous, carnivorous and piscivorous fishes. The surf zone ecosystem was analyzed by means of network analysis, showing total system throughput of $574\;gCm^{-2}yr^{-1},$ development capacity of $1,876\;gCm^{-2}yr^{-1},$ ascendancy value of $768\;gCm^{-2}yr^{-1},$ Finn cycling index of $4.4\%$ and internal relative ascendancy of $27\%.$ These results were compared with similar data from other systems.

AUTOMATIC GENERATION OF BUILDING FOOTPRINTS FROM AIRBORNE LIDAR DATA

  • Lee, Dong-Cheon;Jung, Hyung-Sup;Yom, Jae-Hong;Lim, Sae-Bom;Kim, Jung-Hyun
    • 대한원격탐사학회:학술대회논문집
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    • 대한원격탐사학회 2007년도 Proceedings of ISRS 2007
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    • pp.637-641
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    • 2007
  • Airborne LIDAR (Light Detection and Ranging) technology has reached a degree of the required accuracy in mapping professions, and advanced LIDAR systems are becoming increasingly common in the various fields of application. LiDAR data constitute an excellent source of information for reconstructing the Earth's surface due to capability of rapid and dense 3D spatial data acquisition with high accuracy. However, organizing the LIDAR data and extracting information from the data are difficult tasks because LIDAR data are composed of randomly distributed point clouds and do not provide sufficient semantic information. The main reason for this difficulty in processing LIDAR data is that the data provide only irregularly spaced point coordinates without topological and relational information among the points. This study introduces an efficient and robust method for automatic extraction of building footprints using airborne LIDAR data. The proposed method separates ground and non-ground data based on the histogram analysis and then rearranges the building boundary points using convex hull algorithm to extract building footprints. The method was implemented to LIDAR data of the heavily built-up area. Experimental results showed the feasibility and efficiency of the proposed method for automatic producing building layers of the large scale digital maps and 3D building reconstruction.

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1km 해상도 태양-기상자원지도 기반의 초고해상도 태양 에너지 분석 (Analysis of Very High Resolution Solar Energy Based on Solar-Meteorological Resources Map with 1km Spatial Resolution)

  • 지준범;조일성;이채연;최영진;김규랑;이규태
    • 신재생에너지
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    • 제9권2호
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    • pp.15-22
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    • 2013
  • The solar energy are an infinite source of energy and a clean energy without secondary pollution. The global solar energy reaching the earth's surface can be calculated easily according to the change of latitude, altitude, and sloped surface depending on the amount of the actual state of the atmosphere and clouds. The high-resolution solar-meteorological resource map with 1km resolution was developed in 2011 based on GWNU (Gangneung-Wonju National University) solar radiation model with complex terrain. The very high resolution solar energy map can be calculated and analyzed in Seoul and Eunpyung with topological effect using by 1km solar-meteorological resources map, respectively. Seoul DEM (Digital Elevation Model) have 10m resolution from NGII (National Geographic Information Institute) and Eunpyeong new town DSM (Digital Surface Model) have 1m spatial resolution from lidar observations. The solar energy have small differences according to the local mountainous terrain and residential area. The maximum bias have up to 20% and 16% in Seoul and Eunpyung new town, respectively. Small differences are that limited area with resolutions. As a result, the solar energy can calculate precisely using solar radiation model with topological effect by digital elevation data and its results can be used as the basis data for the photovoltaic and solar thermal generation.