• 제목/요약/키워드: structure discovery

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텍스트 마이닝 및 자동 추론 기반 생물학 지식 발견 시스템을 위한 확률 기반 필터링 (Probabilistic filtering for a biological knowledge discovery system with text mining and automatic inference)

  • 이희진;박종철
    • 한국컴퓨터정보학회논문지
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    • 제17권2호
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    • pp.139-147
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    • 2012
  • 본 논문에서는 텍스트 마이닝을 통해 생물학 문헌에서 분자 수준의 사건(event) 정보를 자동으로 추출하고, 이들 사건 정보를 기반으로 새로운 생물학 지식을 자동 추론하는 텍스트 마이닝 - 추론 통합 구조의 시스템을 다룬다. 이러한 통합 구조의 지식 발견 시스템은 미리 추출되어 데이터베이스에 등록된 정보만을 입력으로 사용하는 시스템들에 비하여 최신 정보를 보다 빨리 사용할 수 있고, 미리 정의된 형식 이외의 다양한 정보를 사용할 수 있다는 장점이 있다. 반면, 텍스트 마이닝 정보 추출 결과를 그대로 사용하기 때문에 텍스트 마이닝 모듈(module)의 성능에 따라 전체 시스템의 효용성이 크게 저하될 수도 있다는 문제가 있다. 본 논문에서는 확률 기반 필터링(filtering) 방법을 제안하여, 텍스트 마이닝 결과 중 양성 오류(false positive)를 효과적으로 제거함으로써 전체 지식 발견 시스템의 정확도 및 효용성을 높이고자 한다. 본 논문에서 제안한 확률 기반 필터링 방법은 기준(baseline) 방법으로 사용된 횟수 기반 필터링 방법보다 높은 성능을 보였다.

문서 유사도 기반의 웹 마이닝 시스템 개발 (Development of A Web Mining System Based On Document Similarity)

  • 이강찬;민재홍;박기식;임동순;우훈식
    • 한국전자거래학회지
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    • 제7권1호
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    • pp.75-86
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    • 2002
  • In this study, we proposed design issues and structure of a web mining system and develop a system for the purpose of knowledge integration under world wide web environments resulted from our developing experiences. The developed system consists of three main functions: 1) gathering documents utilizing a search agent; 2) determining similarity coefficients between any two documents from term frequencies; 3) clustering documents based on similarity coefficients. It is believed that the developed system can be utilized for discovery of knowledge in relatively narrow domains such as news classification, index term generation in knowledge management.

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정량적 구조-활성 상관 관계와 생리학 기반 약물동태를 사용한 새로운 선도물질 최적화 전략 (Novel Lead Optimization Strategy Using Quantitative Structure-Activity Relationship and Physiologically-Based Pharmacokinetics Modeling)

  • 변진주;박민호;신석호;신영근
    • 약학회지
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    • 제59권4호
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    • pp.151-157
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    • 2015
  • The purpose of this study is to demonstrate how lead compounds are best optimized with the application of in silico QSAR and PBPK modeling at the early drug discovery stage. Several predictive QSAR models such as $IC_{50}$ potency model, intrinsic clearance model and brain penetration model were built and applied to a set of virtually synthesized library of the BACE1 inhibitors. Selected candidate compounds were also applied to the PBPK modeling for comparison between the predicted animal pharmacokinetic parameters and the observed ones in vivo. This novel lead optimization strategy using QSAR and PBPK modelings could be helpful to expedite the drug discovery process.

SI산업에서의 지식경영을 위한 지식발견 및 창출 기법에 관한 연구 (A Study on Knowledge Discovery and Creation Techniques for Knowledge Management in SI Industry)

  • 김현수
    • Asia pacific journal of information systems
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    • 제11권2호
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    • pp.99-119
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    • 2001
  • The creation of knowledge is a major concern for knowledge management practice. In particular, effective knowledge creation is one of the critical success factor in SI(System Integration) industry. This paper designs a framework of effective knowledge creation methods for organizations in SI industry. First, we give a comprehensive survey on knowledge creation and discovery methods. And the structure of SI knowledge has been analysed. Also, characteristics of knowledge management processes of SI industry have been surveyed and analysed. A framework for effective knowledge creation of SI organization has been discussed based on the characteristics of SI knowledge and knowledge management processes. Organizational issues and theoretical issues of the methods have been discussed. Future research will be needed to expand the current framework and to examine the effectiveness of the proposed framework.

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교량 적정 점검 주기에 관한 비교 연구 (A Study of the Proper Control-Interval through Comparative Analysis on Bridge Maintenance System)

  • 이용수
    • 한국건설관리학회:학술대회논문집
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    • 한국건설관리학회 2001년도 학술대회지
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    • pp.113-118
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    • 2001
  • 사용중인 교량의 안전성, 사용성, 내구성을 확보하기 위한 시발점은 교량에 대한 점검과 진단이다. 본 논문에서는 최근 개정된 시설물 안전진단에 관한 특별법에 제시된 점검주기와 독일의 점검주기를 비교하고, 외국의 손상 보고서에 나타난 손상발견시기를 분석하였으며, 분석 결과를 기초로 국내 진단 주기의 재조정을 제안하였다. 이를 위해 비교 대상인 양국의 교량 현황을 살펴보고, 유지관리 체계와 비용을 객관적 비교근거로 제시하였다.

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A Short Review on the Application of Combining Molecular Docking and Molecular Dynamics Simulations in Field of Drug Discovery

  • Kothandan, Gugan;Ganapathy, Jagadeesan
    • 통합자연과학논문집
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    • 제7권2호
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    • pp.75-78
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    • 2014
  • Computer-aided drug design uses computational chemistry to discover, enhance, or study drugs and related biologically active molecules. It is now proved to be effective in reducing costs and speeding up drug discovery. In this short review, we discussed on the importance of combining molecular docking and molecular dynamics simulation methodologies. We also reviewed the importance of protein flexibility, refinement of docked complexes using molecular dynamics and the use of free energy calculations for the calculation of accurate binding energies has been reviewed.

농축산물 서비스 디스커버리 구조 (Service Discovery Architecture for agro-livestock products)

  • 윤원득;권기웅;김대영
    • 한국정보통신학회:학술대회논문집
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    • 한국정보통신학회 2016년도 추계학술대회
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    • pp.471-474
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    • 2016
  • 본 논문은 각 국가에서 생산되는 농축산물에 관련되어 국제적으로 제공받을 수 있는 연관 서비스 리스트를 찾아주는 표준을 제안함으로써, 농축산물의 클래스 수준 식별자를 이용하여 연관된 서비스 리스트를 보유하고 있는 네임서버를 찾고 저장되어 있는 서비스 리스트를 사용자에게 제공하는 것을 목적으로 한다.

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Discovering Community Interests Approach to Topic Model with Time Factor and Clustering Methods

  • Ho, Thanh;Thanh, Tran Duy
    • Journal of Information Processing Systems
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    • 제17권1호
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    • pp.163-177
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    • 2021
  • Many methods of discovering social networking communities or clustering of features are based on the network structure or the content network. This paper proposes a community discovery method based on topic models using a time factor and an unsupervised clustering method. Online community discovery enables organizations and businesses to thoroughly understand the trend in users' interests in their products and services. In addition, an insight into customer experience on social networks is a tremendous competitive advantage in this era of ecommerce and Internet development. The objective of this work is to find clusters (communities) such that each cluster's nodes contain topics and individuals having similarities in the attribute space. In terms of social media analytics, the method seeks communities whose members have similar features. The method is experimented with and evaluated using a Vietnamese corpus of comments and messages collected on social networks and ecommerce sites in various sectors from 2016 to 2019. The experimental results demonstrate the effectiveness of the proposed method over other methods.

Structure-Based Virtual Screening and Biological Evaluation of Non-Azole Antifungal Agent

  • Lee, Joo-Youn;Nam, Ky-Youb;Min, Yong-Ki;Park, Chan-Koo;Lee, Hyun-Gul;Kim, Bum-Tae;No, Kyoung-Tai
    • 한국생물정보학회:학술대회논문집
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    • 한국생물정보시스템생물학회 2005년도 BIOINFO 2005
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    • pp.139-143
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    • 2005
  • Cytochrome P450 14${\alpha}$-sterol demethylase enzyme (CYP51) is the target a of azole type antifungals. The azole blocks the ergosterol synthesis and thereby inhibits fungal growth. A three-dimensional (3D) homology model of CYP51 from Candida albicans was constructed based on the X-ray crystal structure of CYP51 from Mycobacterium tuberculosis. Using this model, the binding modes for the substrate (24-methylene-24, 25-dihydrolanosterol) and the known inhibitors (fluconazole, voriconazole, oxiconazole, miconazole) were predicted from docking. Virtual screening was performed employing Structure Based Focusing (SBF). In this procedure, the pharmacophore models for database search were generated from the protein-ligands interactions each other. The initial structure-based virtual screening selected 15 compounds from a commercial available 3D database of approximately 50,000 molecule library, Being evaluated by a cell-based assay, 5 compounds were further identified as the potent inhibitors of Candida albicans CYP51 (CACYP51) with low minimal inhibitory concentration (MIC) range. BMD-09-01${\sim}$BMD-09-04 MIC range was 0.5 ${\mu}$g/ml and BMD-09-05 was 1 ${\mu}$g/ml. These new inhibitors provide a basis for some non-azole antifungal rational design of new, and more efficacious antifungal agents.

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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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    • 제29권5호
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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.