• Title/Summary/Keyword: Scoring algorithm

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Developing Virtual Screening Program for Lead Identification (선도화합물 탐색을 위한 고효율가상탐색 프로그램 개발)

  • Nam, Ky-Youb;Cho, Yong-Kee;Lee, Chang-Joon;Shin, Jae-Hong;Choi, Jung-Won;Gil, Joon-Min;Park, Hark-Soo;Hwang, Il-Sun;No, Kyoung-Tai
    • Proceedings of the Korean Society for Bioinformatics Conference
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    • 2004.11a
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    • pp.181-190
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    • 2004
  • The docking and in silico ligand screening procedures can select small sets of lead -like candidates from large libraries of either commercially or synthetically available compounds; however, the vast number of such molecules make the potential size of this task enormous. To accelerate the discovery of drugs to inhibit several targets, we have exploited massively distributed computing to screen compound libraries virtually. The Korea@HOME project was launched in Feb. 2002, and one year later, more than 1200 PC's have been recruited. This has created a 31 -gigaflop machine that has already provided more than 1400 hours of CPU time. It has all owed databases of millions of compounds to be screened against protein targets in a matter of days. Now, the virtual screening software suitable for distributed environments is developed by BMD. It has been evaluated in terms of the accuracy of the scoring function and the search algorithm for the correct binding mode.

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Development of On-line Judge System based on Block Programming Environment (블록 프로그래밍 환경 기반 온라인 평가 시스템 개발)

  • Shim, Jaekwoun;Chae, Jeong Min
    • The Journal of Korean Association of Computer Education
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    • v.21 no.4
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    • pp.1-10
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    • 2018
  • Block programming environment, which is represented by Scratch in elementary and middle school programming education, is suitable for learner's characteristics and cognitive level, and is recommended not only for beginners. Transference to the text programming environment after the block programming is essential for understanding the data processing process, understanding the accuracy and efficiency aspects of algorithms, and creating SW activity. In addition, it is presented step by step in the programming curriculum. In this study, developed WithBlock the online evaluation system for the purpose of transference from a block programming to a text programming environment. The developed system can solve the same algorithm problem in both block and text programming environment, and it can be used for elementary and secondary programming education by automatically scoring the written code and providing immediate feedback. In order to applicable to programming education in elementary and secondary surveyed the usability, learning possibility, interest and satisfaction of WithBlock. The results of the survey showed that it can be used for programming education.

Mining Proteins Associated with Oral Squamous Cell Carcinoma in Complex Networks

  • Liu, Ying;Liu, Chuan-Xia;Wu, Zhong-Ting;Ge, Lin;Zhou, Hong-Mei
    • Asian Pacific Journal of Cancer Prevention
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    • v.14 no.8
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    • pp.4621-4625
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    • 2013
  • The purpose of this study was to construct a protein-protein interaction (PPI) network related to oral squamous cell carcinoma (OSCC). Each protein was ranked and those most associated with OSCC were mined within the network. First, OSCC-related genes were retrieved from the Online Mendelian Inheritance in Man (OMIM) database. Then they were mapped to their protein identifiers and a seed set of proteins was built. The seed proteins were expanded using the nearest neighbor expansion method to construct a PPI network through the Online Predicated Human Interaction Database (OPHID). The network was verified to be statistically significant, the score of each protein was evaluated by algorithm, then the OSCC-related proteins were ranked. 38 OSCC related seed proteins were expanded to 750 protein pairs. A protein-protein interaction nerwork was then constructed and the 30 top-ranked proteins listed. The four highest-scoring seed proteins were SMAD4, CTNNB1, HRAS, NOTCH1, and four non-seed proteins P53, EP300, SMAD3, SRC were mined using the nearest neighbor expansion method. The methods shown here may facilitate the discovery of important OSCC proteins and guide medical researchers in further pertinent studies.

A Digital Device-Based Method for Quantifying Motor Impairment in Movement Disorders (디지털 디바이스를 이용한 이상운동증에서의 운동손상 정량화 방법)

  • Bae, Suhan;Yun, Daeun;Ha, Jaekyung;Gwon, Daeun;Kim, Young Goo;Ahn, Minkyu
    • Journal of Biomedical Engineering Research
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    • v.41 no.6
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    • pp.247-255
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    • 2020
  • Accurate diagnosis of movement disorders is important for providing right patient care at right time. In general, assessment of motor impairment relies on clinical ratings conducted by experienced clinicians. However, this may introduce subjective opinions into scoring the severity of motor impairment. Digital devices such as table PC and smart band with accelerometer can be used for more accurate and objective assessment and possibly helpful for clinicians to make right decision of patient's states. In this study, we introduce quantification algorithms of motor impairment which uses the digital data acquired during four clinical motor tests (Line drawing, Spiral drawing, Nose to finger and Hand flip tests). The step by step procedure of quantifying metrics (Tremor Frequency, Tremor Magnitude, Error Distance, Time, Velocity, Count and Period) are provided with flowchart. The effectiveness of the proposed algorithm is presented with the result from simulated data (normal, normal with tremor and slowness, poor with tremor, poor with tremor and slowness).

Seabed Sediment Feature Extraction Algorithm using Attenuation Coefficient Variation According to Frequency (주파수에 따른 감쇠계수 변화량을 이용한 해저 퇴적물 특징 추출 알고리즘)

  • Lee, Kibae;Kim, Juho;Lee, Chong Hyun;Bae, Jinho;Lee, Jaeil;Cho, Jung Hong
    • Journal of the Institute of Electronics and Information Engineers
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    • v.54 no.1
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    • pp.111-120
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    • 2017
  • In this paper, we propose novel feature extraction algorithm for classification of seabed sediment. In previous researches, acoustic reflection coefficient has been used to classify seabed sediments, which is constant in terms of frequency. However, attenuation of seabed sediment is a function of frequency and is highly influenced by sediment types in general. Hence, we developed a feature vector by using attenuation variation with respect to frequency. The attenuation variation is obtained by using reflected signal from the second sediment layer, which is generated by broadband chirp. The proposed feature vector has advantage in number of dimensions to classify the seabed sediment over the classical scalar feature (reflection coefficient). To compare the proposed feature with the classical scalar feature, dimension of proposed feature vector is reduced by using linear discriminant analysis (LDA). Synthesised acoustic amplitudes reflected by seabed sediments are generated by using Biot model and the performance of proposed feature is evaluated by using Fisher scoring and classification accuracy computed by maximum likelihood decision (MLD). As a result, the proposed feature shows higher discrimination performance and more robustness against measurement errors than that of classical feature.

The Evaluation of Usefulness of Wide Beam Reconstruction Method on Segmental Perfusion and Regional Wall Motion in Myocardial Perfusion SPECT (심근관류 SPECT의 분절별 관류 및 국소벽 운동에서 Wide Beam Reconstruction기법의 유용성 평가)

  • Seong, Yong-Joon;Kim, Tae-Yeob;Moon, Il-Sang;Cho, Seong-Wook;Woo, Jae-Ryong
    • The Korean Journal of Nuclear Medicine Technology
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    • v.15 no.1
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    • pp.51-57
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    • 2011
  • Purpose: The aim of this study is to identify clinical usefulness of Wide Beam Reconstruction (WBR) which is called Xpress.cardiac$^{TM}$ to confirm the agreement between segmental perfusion and regional wall motion in myocardium compared to conventional OSEM method. Materials and Methods: Subjects were separated two groups. First group was composed of 20 normal control group. Second group was composed of 10 patients (abnormal group) who had coronary artery disease. Subjects underwent myocardial perfusion SPECT ($^{201}Tl$ rest and $^{99m}Tc$-MIBI stress). Image acquisition and reconstruction were that rest stage was each step per 30, 15 seconds and stress stage was each step per 25, 13 seconds, OSEM and WBR methods were applied. Segmental perfusion and regional wall motion were applied 20-segment model of QPS, QGS algorithm in AutoQuant. Status of perfusion was composed of 5 point scoring system (0=normal, 1=mild, 2=moderate, 3=severe hypokinesia, 4=dyskinesia). Status of regional wall motion was also composed of 5 point scoring (0=normal, 1=mild, 2=moderate, 3=severe hypokinesia, 4=dyskinesia). We evaluated the agreement between conventional OSEM and WBR through automatic quantification value. Results: The agreement of rest segmental perfusion between conventional OSEM and WBR in normal patients was 99% (396/400, k=0.662, p<0.0001) and one of rest regional wall motion was 83.8% (335/400, k=0.283), the agreement of stress segmental perfusion was 95.8%(383/400, k=0.656), one of stress regional wall motion was 87.3% (349/400, k=0.390). The match rate of rest segmental perfusion in abnormal patients was 83% (166/200, k=0.605, p<0.0001) and one of rest regional wall motion was 55.5% (111/200, k=0.385), the agreement of stress segmental perfusion was 79.5% (159/200, k=0.682), one of stress regional wall motion was 63.5% (127/200, k=0.486). Conclusion: Compared to conventional OSEM, WBR method had a good agreement of segmental perfusion in myocardium in normal and abnormal groups. However regional wall motion showed meaningful low agreement. Although WBR offers high resolution and contrast ratio, it is not useful method for gated myocardial perfusion SPECT.

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