• Title/Summary/Keyword: Automated Tool

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Toward the Virtual Screening of α-Glucosidase Inhibitors with the Homology-Modeled Protein Structure

  • Park, Jung-Hum;Ko, Sung-Min;Park, Hwang-Seo
    • Bulletin of the Korean Chemical Society
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    • v.29 no.5
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    • pp.921-927
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    • 2008
  • Discovery of $\alpha$-glucosidase inhibitors has been actively pursued with the aim to develop therapeutics for the treatment of diabetes and the other carbohydrate mediated diseases. As a method for the discovery of new novel inhibitors of $\alpha$-glucosidase, we have addressed the performance of the computer-aided drug design protocol involving the homology modeling of $\alpha$-glucosidase and the structure-based virtual screening with the two docking tools: FlexX and the automated and improved AutoDock implementing the effects of ligand solvation in the scoring function. The homology modeling of $\alpha$-glucosidase from baker’s yeast provides a high-quality 3-D structure enabling the structure-based inhibitor design. Of the two docking programs under consideration, AutoDock is found to be more accurate than FlexX in terms of scoring putative ligands to the extent of 5-fold enhancement of hit rate in database screening when 1% of database coverage is used as a cutoff. A detailed binding mode analysis of the known inhibitors shows that they can be stabilized in the active site of $\alpha$- glucosidase through the simultaneous establishment of the multiple hydrogen bond and hydrophobic interactions. The present study demonstrates the usefulness of the automated AutoDock program with the improved scoring function as a docking tool for virtual screening of new $\alpha$-glucosidase inhibitors as well as for binding mode analysis to elucidate the activities of known inhibitors.

An optimization framework to tackle challenging cargo accommodation tasks in space engineering

  • Fasano, Giorgio;Gastaldi, Cristina;Piras, Annamaria;Saia, Dario
    • Advances in aircraft and spacecraft science
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    • v.1 no.2
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    • pp.197-218
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    • 2014
  • Quite a demanding task frequently arises in space engineering, when dealing with the cargo accommodation of modules and vehicles. The objective of this effort usually aims at maximizing the loaded cargo, or, at least, at meeting the logistic requirements posed by the space agencies. Complex accommodation rules are supposed to be taken into account, in compliance with strict balancing conditions and very tight operational restrictions. The context of the International Space Station (ISS) has paved the way for a relevant research and development activity, providing the company with a remarkable expertise in the field. CAST (Cargo Accommodation Support Tool) is a dedicated in-house software package (funded by the European Space Agency, ESA, and achieved by Thales Alenia Space), to carry out the whole loading of the Automated Transfer Vehicle (ATV). An ad hoc version, tailored to the Columbus (ISS attached laboratory) on-board stowage issue, has been further implemented and is to be used from now on. This article surveys the overall approach followed, highlighting the advantages of the methodology put forward, both in terms of solution quality and time saving, through an overview of the outcomes obtained to date. Insights on possible extensions to further space applications, especially in the perspective of the paramount challenges of the near future, are, in addition, presented.

A Study on Development of the 3D Modeling System for Earthwork Environment (토공 작업환경의 3차원 모델링 시스템 개발에 관한 연구)

  • Yoo, Hyun-Seok;Chae, Myung-Jin;Kim, Jung-Yeol;Cho, Moon-Young
    • Proceedings of the Korean Institute Of Construction Engineering and Management
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    • 2007.11a
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    • pp.977-982
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    • 2007
  • There have been many efforts in automatic object recognition using computing technologies. Especially in the development of automated construction equipment, automatic object recognition is very important issue for the proper equipment maneuvering. 3D laser scanning, which uses (time-of-flight) method to construct the 3-dimensional information, is applied to the civil earth work environment for its high accuracy, quick data collection, and object recognition capability that will be developed by the authors in the future. The 3D earth model is also used as a fundamental information for intelligent earth work task planning. This paper presents the analysis of the 3D laser scanner market and selection of the most optimum 3D scanner for the intelligent earth work planning. As well as the hardware configuration for the automated 3D earth modeling is developed but also the software structure and detailed user interface are designed in this research. In addition, it is presented in this paper that the accuracy comparison test between TotalStation(R) which is a traditional survey tool and ScanStation(R). The accuracy test is done by relative distance measurement using known targets.

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EDISON Platform to Supporting Education and Integration Research in Computational Science (계산과학 시뮬레이션을 위한 웹 인터페이스 자동 생성 시스템 개발)

  • Jin, Du-Seok;Lee, Jong-Suk Ruth;Cho, Kum-Won;Jeong, Jae-You;Jung, Hoe-Kyung
    • Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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    • 2011.10a
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    • pp.799-801
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    • 2011
  • Computational science is a field of study concerned with constructing mathematical models and quantitative analysis techniques and using large computing resources to solve the problems which are difficult to approach in a physical experimentally. Recently, a new web-based simulation environment for computational science is becoming more and more popular for supporting multi-user access without restriction of space or time, however, to develop web-based simulation applications, the researchers performed their works too much difficulty. In this paper, we present automated web interface generation tool that allows applied researchers to concentrate on advanced research in their scientific disciplines such as Chemistry, Physics, Structural Dynamics.

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Character Motion Generation and Control with Hierarchical Parametric Functions (계층적 매개함수를 이용한 캐릭터 동작 생성 및 제어)

  • Ok, Soo-Yol
    • Journal of the Korea Institute of Information and Communication Engineering
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    • v.12 no.7
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    • pp.1193-1201
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    • 2008
  • In this paper, we propose a automated techniques for generating the gait animation of humanoid character model required in game applications. The proposed method can generate motion data of various styles with intuitive manipulation, and techniques for editing motion data are also proposed. In addition, we introduce an automated tool for gait animation of character model developed with the proposed method to verify the effectiveness of our method. The proposed method tan be successfully employed in motion authoring tools. In this paper, only the gait animation was considered. However, the proposed method can be applied to various motions and can be utilized as a motion engine that automatically generates proper motion according to the state of the character. The motion engine can express various behavior of the character without requiring motion data base which is usually employed in 3D online games.

GAN-based Automated Generation of Web Page Metadata for Search Engine Optimization (검색엔진 최적화를 위한 GAN 기반 웹사이트 메타데이터 자동 생성)

  • An, Sojung;Lee, O-jun;Lee, Jung-Hyeon;Jung, Jason J.;Yong, Hwan-Sung
    • Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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    • 2019.05a
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    • pp.79-82
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    • 2019
  • This study aims to design and implement automated SEO tools that has applied the artificial intelligence techniques for search engine optimization (SEO; Search Engine Optimization). Traditional Search Engine Optimization (SEO) on-page optimization show limitations that rely only on knowledge of webpage administrators. Thereby, this paper proposes the metadata generation system. It introduces three approaches for recommending metadata; i) Downloading the metadata which is the top of webpage ii) Generating terms which is high relevance by using bi-directional Long Short Term Memory (LSTM) based on attention; iii) Learning through the Generative Adversarial Network (GAN) to enhance overall performance. It is expected to be useful as an optimizing tool that can be evaluated and improve the online marketing processes.

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Automated Bacterial Cell Counting Method in a Droplet Using ImageJ (이미지 분석 프로그램을 이용한 액적 내 세포 계수 방법)

  • Jingyeong Kim;Jae Seong Kim;Chang-Soo Lee
    • Korean Chemical Engineering Research
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    • v.61 no.2
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    • pp.247-257
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    • 2023
  • Precise counting of cell number stands in important position within clinical and research laboratories. Conventional methods such as hemocytometer, migration/invasion assay, or automated cell counters have limited in analytical time, cost, and accuracy., which needs an alternative way with time-efficient in-situ approach to broaden the application avenue. Here, we present simple coding-based cell counting method using image analysis tool, freely available image software (ImageJ). Firstly, we encapsulated RFP-expressing bacteria in a droplet using microfluidic device and automatically performed fluorescence image-based analysis for the quantification of cell numbers. Also, time-lapse images were captured for tracking the change of cell numbers in a droplet containing different concentrations of antibiotics. This study confirms that our approach is approximately 15 times faster and provides more accurate number of cells in a droplet than the external analysis program method. We envision that it can be used to the development of high-throughput image-based cell counting analysis.

Analysis on dam operation effect and development of an function formula and automated model for estimating suitable site (댐의 운영효과 분석과 적지선정 함수식 및 자동화 모형 개발)

  • Choo, Taiho;Kim, Yoonku;Kim, Yeongsik;Yun, Gwanseon
    • Journal of Korea Water Resources Association
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    • v.52 no.3
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    • pp.187-194
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    • 2019
  • Intake ratio from river constitutes about 31% (8/26) that beings to "water stress country" as "Medium ~ High" with China, India, Italy, South Africa, etc. Therefore, the present study on a dam that is the most effective and direct for securing water resources has been performed. First of all, climate change scenarios were investigated and analyzed. RCP 4.5 and 8.5 with 12.5 km grid resolution presented in the IPCC (Intergovernmental Panel on Climate Change) 5th Assessment Report (AR5) were applied to study watershed using SWAT (Soil and Water Assessment Tool) and HEC-ResSim models that carried out co-operation. Based on the results of dam simulation, the reduction effects of floods and droughts were quantitatively presented. The procedures of dam projects of the USA, Japan and Korea were investigated. As a result, there are no estimating quantitative criteria, calculating methods or formulas. In the present study, therefore, indexes for selecting suitable dam site through literature investigation and analyzing dam watersheds were determined, Expert questionnaire for various indexes were performed. Based on the above mentioned investigation and expert questionnaire, a methodology assigning weight using AHP method were proposed. The function of suitable dam (FSDS) site was calibrated and verified for four medium-sized watersheds. Finally, automated model for suitable dam site was developed using FSDS and 'Model builder' of GIS tool.

Development of Automated Statistical Analysis Tool using Measurement Data in Cable-Supported Bridges (특수교 계측 데이터 자동 통계 분석 툴 개발)

  • Kim, Jaehwan;Park, Sangki;Jung, Kyu-San;Seo, Dong-Woo
    • Journal of Korean Society of Disaster and Security
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    • v.15 no.3
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    • pp.79-88
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    • 2022
  • Cable-supported bridges, as important large infrastructures, require a long-term and systematic maintenance strategy. In particular, various methods have been proposed to secure safety for the bridges, such as installing various types of sensor on members in the bridges, and setting management thresholds. It is evidently necessary to propose a strategic plan to efficiently manage increasing number of cable-supported bridges and data collected from a number of sensors. This study aims to develop an analysis tool that can automatically remove abnormal signals and calculate statistical results for the purpose of efficiently analyzing a wide range of data collected from a long span bridge measurement system. To develop the tool, basic information such as the types and quantity of sensors installed in long span bridges and signal characteristics of the collected data were analyzed. Thereafter, the Humpel filtering method was used to determine the presence or absence of an abnormality in the signal and then filtered. The statistical results with filtered data were shown. Finally, one cable-stayed bridge and one suspension bridge currently in use were chosen as the target bridges to verify the performance of the developed tool. Signal processing and statistical analysis with the tool were performed. The results are similar to the results reported in the existing work.

Comparison of Automated Breast Volume Scanning and Hand-Held Ultrasound in the Detection of Breast Cancer: an Analysis of 5,566 Patient Evaluations

  • Choi, Woo Jung;Cha, Joo Hee;Kim, Hak Hee;Shin, Hee Jung;Kim, Hyunji;Chae, Eun Young;Hong, Min Ji
    • Asian Pacific Journal of Cancer Prevention
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    • v.15 no.21
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    • pp.9101-9105
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    • 2014
  • Background: The purpose of this study was to compare the accuracy and effectiveness of automated breast volume scanning (ABVS) and hand-held ultrasound (HHUS) in the detection of breast cancer in a large population group with a long-term follow-up, and to investigate whether different ultrasound systems may influence the estimation of cancer detection. Materials and Methods: Institutional review board approval was obtained for this retrospective study, and informed consent was waived. From September 2010 to August 2011, a total of 1,866 ABVS and 3,700 HHUS participants, who underwent these procedures at our institute, were included in this study. Cancers occurring during the study and subsequent follow-up were evaluated. The reference standard was a combination of histology and follow-up imaging (${\geq}12months$). The recall rate, cancer detection yield, diagnostic accuracy, sensitivity, specificity, and positive (PPV) and negative (NPV) predictive values were calculated with exact 95% confidence intervals. Results: The recall rate was 2.57 per 1,000 (48/1,866) for ABVS and 3.57 per 1,000 (132/3,700) for HHUS, with a significant difference (p=0.048). The cancer detection yield was 3.8 per 1,000 for ABVS and 2.7 per 1,000 for HHUS. The diagnostic accuracy was 97.7% for ABVS and 96.5% for HHUS with statistical significance (p=0.018). The specificity of ABVS and HHUS were 97.8%, 96.7%, respectively (p=0.022). Conclusions: ABVS shows a comparable diagnostic performance to HHUS. ABVS is an effective supplemental tool for mammography in breast cancer detection in a large population.