• Title/Summary/Keyword: Structure similarity

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Molecular Docking, 3D QSAR and Designing of New Quinazolinone Analogues as DHFR Inhibitors

  • Yamini, L.;Kumari, K. Meena;Vijjulatha, M.
    • Bulletin of the Korean Chemical Society
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    • v.32 no.7
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    • pp.2433-2442
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    • 2011
  • The three dimensional quantitative structure activity relationship (3D QSAR) models were developed using Comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA) and docking studies. The fit of Quinazolinone antifolates inside the active site of modeled bovine dihydrofolate reductase (DHFR) was assessed. Both ligand based (LB) and receptor based (RB) QSAR models were generated, these models showed good internal and external statistical reliability that is evident from the $q^2_{loo}$, $r^2_{ncv}$ and $r^2_{pred}$. The identified key features enabled us to design new Quinazolinone analogues as DHFR inhibitors. This study is a building bridge between docking studies of homology modeled bovine DHFR protein as well as ligand and target based 3D QSAR techniques of CoMFA and CoMSIA approaches.

Character Recognition using Regional Structure

  • Yoo, Suk Won
    • International Journal of Advanced Culture Technology
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    • v.7 no.1
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    • pp.64-69
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    • 2019
  • With the advent of the fourth industry, the need for office automation with automatic character recognition capabilities is increasing day by day. Therefore, in this paper, we study a character recognition algorithm that effectively recognizes a new experimental data character by using learning data characters. The proposed algorithm computes the degree of similarity that the structural regions of learning data characters match the corresponding regions of the experimental data character. It has been confirmed that satisfactory results can be obtained by selecting the learning data character with the highest degree of similarity in the matching process as the final recognition result for a given experimental data character.

A Study on the Relationship between Class Similarity and the Performance of Hierarchical Classification Method in a Text Document Classification Problem (텍스트 문서 분류에서 범주간 유사도와 계층적 분류 방법의 성과 관계 연구)

  • Jang, Soojung;Min, Daiki
    • The Journal of Society for e-Business Studies
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    • v.25 no.3
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    • pp.77-93
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    • 2020
  • The literature has reported that hierarchical classification methods generally outperform the flat classification methods for a multi-class document classification problem. Unlike the literature that has constructed a class hierarchy, this paper evaluates the performance of hierarchical and flat classification methods under a situation where the class hierarchy is predefined. We conducted numerical evaluations for two data sets; research papers on climate change adaptation technologies in water sector and 20NewsGroup open data set. The evaluation results show that the hierarchical classification method outperforms the flat classification methods under a certain condition, which differs from the literature. The performance of hierarchical classification method over flat classification method depends on class similarities at levels in the class structure. More importantly, the hierarchical classification method works better when the upper level similarity is less that the lower level similarity.

An Index-Based Search Method for Performance Improvement of Set-Based Similar Sequence Matching (집합 유사 시퀀스 매칭의 성능 향상을 위한 인덱스 기반 검색 방법)

  • Lee, Juwon;Lim, Hyo-Sang
    • KIPS Transactions on Software and Data Engineering
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    • v.6 no.11
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    • pp.507-520
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    • 2017
  • The set-based similar sequence matching method measures similarity not for an individual data item but for a set grouping multiple data items. In the method, the similarity of two sets is represented as the size of intersection between them. However, there is a critical performances issue for the method in twofold: 1) calculating intersection size is a time consuming process, and 2) the number of set pairs that should be calculated the intersection size is quite large. In this paper, we propose an index-based search method for improving performance of set-based similar sequence matching in order to solve these performance issues. Our method consists of two parts. In the first part, we convert the set similarity problem into the intersection size comparison problem, and then, provide an index structure that accelerates the intersection size calculation. Second, we propose an efficient set-based similar sequence matching method which exploits the proposed index structure. Through experiments, we show that the proposed method reduces the execution time by 30 to 50 times then the existing methods. We also show that the proposed method has scalability since the performance gap becomes larger as the number of data sequences increases.

Learning Similarity between Hand-posture and Structure for View-invariant Hand-posture Recognition (관측 시점에 강인한 손 모양 인식을 위한 손 모양과 손 구조 사이의 학습 기반 유사도 결정 방법)

  • Jang Hyo-Young;Jung Jin-Woo;Bien Zeung-Nam
    • Journal of the Korean Institute of Intelligent Systems
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    • v.16 no.3
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    • pp.271-274
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    • 2006
  • This paper deals with a similarity decision method between the shape of hand-postures and their structures to improve performance of the vision-based hand-posture recognition system. Hand-posture recognition by vision sensors has difficulties since the human hand is an object with high degrees of freedom, and hence grabbed images present complex self-occlusion effects and, even for one hand-posture, various appearances according to viewing directions. Therefore many approaches limit the relative angle between cameras and hands or use multiple cameras. The former approach, however, restricts user's operation area. The latter requires additional considerations on the way of merging the results from each camera image to get the final recognition result. To recognize hand-postures, we use both of appearance and structural features and decide the similarity between the two types of features by learning.

Conceptual Retrieval of Chinese Frequently Asked Healthcare Questions

  • Liu, Rey-Long;Lin, Shu-Ling
    • International Journal of Knowledge Content Development & Technology
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    • v.5 no.1
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    • pp.49-68
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    • 2015
  • Given a query (a health question), retrieval of relevant frequently asked questions (FAQs) is essential as the FAQs provide both reliable and readable information to healthcare consumers. The retrieval requires the estimation of the semantic similarity between the query and each FAQ. The similarity estimation is challenging as semantic structures of Chinese healthcare FAQs are quite different from those of the FAQs in other domains. In this paper, we propose a conceptual model for Chinese healthcare FAQs, and based on the conceptual model, present a technique ECA that estimates conceptual similarities between FAQs. Empirical evaluation shows that ECA can help various kinds of retrievers to rank relevant FAQs significantly higher. We also make ECA online to provide services for FAQ retrievers.

Fuzzy Query Processing through Two-level Similarity Relation Matrices Construction (2계층 유사관계행렬 구축을 통한 질의 처리)

  • 이기영
    • Journal of the Korea Computer Industry Society
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    • v.4 no.10
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    • pp.587-598
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    • 2003
  • This paper construct two-level word similarity relation matrices about title and to scientific treatise. As guide keyword similarity relation matrices which is constructed to co-occurrence frequency base same time keeps recall rater by query expansion by tolerance relation, it is index structure to improve the precision rate by two-level contents base retrieval. Therefore, draw area knowledge through subject analysis and reasoned user's information request and area knowledge to fuzzy logic base. This research is research to improve vocabulary mismatch problem and information expression having essentially on query.

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Various Quantum Ring Structures: Similarity and diversity

  • Park, Dae-Han;Kim, Nammee
    • Applied Science and Convergence Technology
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    • v.25 no.2
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    • pp.36-41
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    • 2016
  • Similarity and diversity of various quantum ring structures are investigated by classifying energy dispersions of three different structures: an electrostatic quantum ring, a magnetic quantum ring, and a magnetic-electric quantum ring. The wave functions and the eigenenergies of a single electron in the quantum ring structures are calculated by solving the Schrdinger equation without any electron-electron interaction. Magnetoconductance is studied by calculating a two-terminal conductance while taking into account the backscattering via the resonance through the states of the quantum rings at the center of a quasi-one dimensional conductor. It is found that the energy spectra for the various quantum ring structures are sensitive to additional electrostatic potentials as well as to the effects of a nonuniform magnetic field. There are also characteristics of similarity and diversity in the energy dispersions and in the single-channel magnetoconductance.

Spatial and Temporal Distribution of Macrobenthos in Intertidal Hard Bottoms in Dokdo Island

  • Kim, Jong-Chun;Park, Kang-Wook;Yoo, Kyong-Dong;Jung, Sung-Yong
    • Korean Journal of Environment and Ecology
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    • v.29 no.2
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    • pp.221-227
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    • 2015
  • This study was carried out to measure seasonal changes in the community structure and species composition of marobenthos in the intertidal area of Dokdo. The macrobenthos identified during this study was comprised of 36 species: predominately 25 species of mollusks(69.4 %), 6 species of arthropods(16.7 %), 3 species of echinodermata(8.3 %) and 1 species of cnidaria (5.6 %). The number of marobenthos species ranged from 27 in Spring to 33 in Autumn. In terms of the top 10 dominant species, there were 7 species of mollusks and 3 species of arthropods in the this study. After analyzing the bray-curtis similarity, it was divided into two large groups(A, B). Such group classification matched the SIMPROF(Similarity Profile Analysis) and the one-way ANOSIM(Analysis of similarities) analysis.

Prediction of Protein Secondary Structure Using the Weighted Combination of Homology Information of Protein Sequences (단백질 서열의 상동 관계를 가중 조합한 단백질 이차 구조 예측)

  • Chi, Sang-mun
    • Journal of the Korea Institute of Information and Communication Engineering
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    • v.20 no.9
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    • pp.1816-1821
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    • 2016
  • Protein secondary structure is important for the study of protein evolution, structure and function of proteins which play crucial roles in most of biological processes. This paper try to effectively extract protein secondary structure information from the large protein structure database in order to predict the protein secondary structure of a query protein sequence. To find more remote homologous sequences of a query sequence in the protein database, we used PSI-BLAST which can perform gapped iterative searches and use profiles consisting of homologous protein sequences of a query protein. The secondary structures of the homologous sequences are weighed combined to the secondary structure prediction according to their relative degree of similarity to the query sequence. When homologous sequences with a neural network predictor were used, the accuracies were higher than those of current state-of-art techniques, achieving a Q3 accuracy of 92.28% and a Q8 accuracy of 88.79%.