• 제목/요약/키워드: partial least square regression

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근적외분광분석법을 사용한 암브록솔 정제의 비파괴적 정량분석 (Nondestructive Quantification of Intact Ambroxol Tablet using Near-infrared Spectroscopy)

  • 임현량;우영아;김도형;김효진;강신정;최현철;최한곤
    • 약학회지
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    • 제48권1호
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    • pp.60-64
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    • 2004
  • Near-infrared (NIR) spectroscopy was used to determine rapidly and nondestructively the content of ambroxol in intact ambroxol tablets containing 30 mg (12.5% m/m nominal concentration) by collecting NIR spectra in range 1100-1750 nm. The laboratory-made samples had 10.3∼15.9% m/m nominal ambroxol concentration. The measurements were made by reflection using a fiber-optic probe and calibration was carried out by partial least square regression (PLSR) with autoscaling. Model validation was performed by randomly splitting the data set into calibration and validation data set (7 samples as a calibration data set and 5 samples as a validation data set). The developed NIR method gave results comparable to the known values of tablets in a laboratorial manufacturing Process, standard error of calibration (SEC) and standard error of prediction (SEP) being 0.49% and 0.49% m/m respectively. The method showed good accuracy and repeatability NIR spectroscopic determination in intact tablets allowed the potential use of real time monitoring for a running production process.

근적외분광분석법을 이용한 인도메타신의 정량분석 (Quantitative Analysis of Indomethacin by the Portable Near-Infrared (NIR) System)

  • 김도형;우영아;김효진
    • 약학회지
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    • 제47권5호
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    • pp.261-265
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    • 2003
  • Near-infrared (NIR) system was used to determine rapidly and simply indomethacin in buffer solution for a dissolution test of tablets and capsules. Indomethacin standards were prepared ranging from 10 to 50 ppm using the mixture of phosphate buffer (pH 7.2) and water (1 : 4). The near-infrared (NIR) transmittance spectra of indomethacin standard solutions were collected by using a quartz cell in 1 mm and 2 mm pathlength. Partial least square regression (PLSR) was explored to develop calibration models over the spectral range 1100∼1700 nm. The model using 1 mm quartz cell was better than that using 2 mm quartz cell. The PLSR models developed gave standard error of prediction (SEP) of 0.858 ppm. In order to validate the developed calibration model, routine analysis was performed using another standard solutions. The NIR routine analysis showed good correlation with actual values. Standard error of prediction (SEP) is 1.414 ppm for 7 indomethacin samples in routine analysis and its error was permeable in the regulation of Korean Pharmacopoeia (VII). These results show the potential use of the real time monitoring for indomethacin during a dissolution test.

벌점함수를 이용한 부분최소제곱 회귀모형에서의 변수선택 (Variable Selection in PLS Regression with Penalty Function)

  • 박종선;문규종
    • Communications for Statistical Applications and Methods
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    • 제15권4호
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    • pp.633-642
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    • 2008
  • 본 논문에서는 반응변수가 하나 이상이고 설명변수들의 수가 관측치에 비하여 상대적으로 많은 경우에 널리 사용되는 부분최소제곱회귀모형에 벌점함수를 적용하여 모형에 필요한 설명변수들을 선택하는 문제를 고려하였다. 모형에 필요한 설명변수들은 각각의 잠재변수들에 대한 최적해 문제에 벌점함수를 추가한 후 모의담금질을 이용하여 선택하였다. 실제 자료에 대한 적용 결과 모형의 설명력 및 예측력을 크게 떨어뜨리지 않으면서 필요없는 변수들을 효과적으로 제거하는 것으로 나타나 부분최소제곱회귀모형에서 최적인 설명변수들의 부분집합을 선택하는데 적용될 수 있을 것이다.

비선형 주성분해석과 신경망에 기반한 비선형 PLS (Non-linear PLS based on non-linear principal component analysis and neural network)

  • 손정현;정신호;송상옥;윤인섭
    • 제어로봇시스템학회:학술대회논문집
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    • 제어로봇시스템학회 2000년도 제15차 학술회의논문집
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    • pp.394-394
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    • 2000
  • This Paper proposes a new nonlinear partial least square method that extends the linear PLS. Proposed nonlinear PLS uses self-organizing feature map as PLS outer relation and multilayer neural network as PLS inner regression method.

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근적외선 분광광도법을 이용한 송이버섯의 원산지 판별 (Discrimination of Geographical Origin of Mushroom (Tricholoma matsutake) using Near Infrared Spectroscopy)

  • 이남윤;배혜리;노봉수
    • 한국식품과학회지
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    • 제38권6호
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    • pp.835-837
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    • 2006
  • 근적외선 분광광도법을 이용하여 송이버섯의 원산지 판별을 시험하였다. 259개의 국내산 시료중 256개는 국내산으로 판별하였고(98.84%) 수입산 81개중 60개는 수입산으로 판별하였으나(74.07%) 21개의 북한산은 판별하기가 모호하여 잘못 판정한 것으로 간주할 때 시료 판별의 전체정확도는 92.94%로 나타났다. MPLS에 따른 분석의 경우 상관계수는 0.84, 검량선의 표준오차는 15.10%, 예측 표준오차는 18.30% 이었다.

가시광선 / 근적외선 분광 분석법을 이용한 쌀의 정백수율 측정 (Determination of Rice Milling Ratio by Visible / Near-Infrared Spectroscopy)

  • 김재민;민봉기;최창현
    • Journal of Biosystems Engineering
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    • 제22권3호
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    • pp.333-342
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    • 1997
  • The objective of this research was to develop model equations for measuring rice milling ratio by using visible / HIR spectroscopy. Twelve kinds of brown rice(n = 149) were milled to obtain various milling ratio ranged from 86% to 94%. Visible/NIR spectra were collected with a spectrophotometer with sample transport module. The reflectance and transmission spectra were measured in the range of 400~2, 500nm and 600~1, 400nm, respectively, with 2 nm intervals. Multiple linear regression(MLR), Partial least square (PLS), and Artificial neural network(ANN) were used to develop models. Model developed with reflectance spectra showed better prediction results then those with transmission spectra. The MLR model with six-wavelength obtained from first derivative spectra gave to the best results for measuring the rice milling ratio(SEP = 0.535, , $r^2$ = 0.980). The PLS model(SEP = 0.604, $r^2$= 0.976) and ANN model(SEP = 0.566, $r^2$= 0.978) also can be used to determine the rice milling ratio effectively.

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근적외 분광분석법을 이용한 나프록센 정제의 정량분석 (Quantification of Naproxen in Pharmaceutical Formulation using Near-Infrared Spectrometry)

  • 김도형;우영아;김효진
    • 약학회지
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    • 제49권1호
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    • pp.1-5
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    • 2005
  • Near-infrared (NIR) spectroscopy has been widely applied in various field, since it is nondestructive and no sample preparation is required. In this paper, NIR spectroscopy was used for the determination of naproxen in a commercial pharmaceutical preparation. NIR spectroscopy was used to determine the content of naproxen in intact naproxen tablets containing 250 mg ($65.8\%$ nominal concentration) by collecting NIR spectra in the range of $1100{\sim}1750nm$. The laboratory-made samples had $46.1{\sim}85.5\%$ nominal naproxen concentration. The measurements were made by reflection using a fiber-optic probe and calibration was carried out by partial least square regression (PLSR). Model validation was performed by randomly splitting the data set into calibration and validation data set (63 samples as a calibration data set and 42 samples as a validation data set). The developed NIR calibration gave results comparable to the known values of tablets in a laboratorial manufacturing process with standard error of calibration (SEC) and standard error of prediction (SEP) of $1.06\%\;and\;1.04\%$, respectively. The NIR method showed good accuracy and repeatability. NIR spectroscopic determination in intact tablets allowed the potential use of real time monitoring for a running production process.

Proposing Directions for Urban Design to Improve the Inclusiveness of the Port Hinterland

  • Ah, Hwang Sun
    • 한국항해항만학회지
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    • 제45권2호
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    • pp.42-53
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    • 2021
  • The port space can be considered to be the space in which the characteristics of the port city are best expressed. Also, since it acts as a representative gateway along with the airport, it can have a direct impact on the image of the region and country. However, the harbor hinterland has been a refuge during the war in the past, and it has been concentrating on development related to the port industry; hence, it has a poorer residential environment. Therefore, in this study, in order to ensure equal development in space and equal access to basic urban services, urban design directions were suggested for the harbor hinterland based on the concept of an inclusive city'. To this end, through factor analysis, urban planning elements that can be applied to urban design were derived, and through PLS(Partial Least Square)regression analysis, based on the opinions of residents and experts, urban design directions for the port hinterland were presented. The study site was Gamcheon Port, one of the Busan Ports in Korea, the hinterland of Gamcheon Port was a high slope, and the residential environment was relatively poor due to the dense concentration of older residential areas.

고령자와 비고령자의 여가통행시간 이질성 연구 - 충남 도시권과 농어촌권을 중심으로 - (A Study on the Heterogeneity of Leisure Travel Time between Elderly and Non Elderly People - Focusing on urban and rural areas in south Chungcheong province -)

  • 김원철
    • 한국ITS학회 논문지
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    • 제12권5호
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    • pp.87-97
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    • 2013
  • 본 연구는 충청남도를 대상으로 도시권과 농어촌권을 구분하고, 고령자 및 비고령자의 여가통행시간 영향요인의 이질성을 정량적으로 규명하고자 하였다. 분석자료는 2011년 가구통행실태조사를 활용하여 도심 및 농어촌권역의 통행자특성을 추출하고, 도심 및 농어촌권의 지역경제적특성 및 교통환경적특성을 활용하여 PLS(Partial least square) 회귀모형을 구축하였다. 분석결과, 도시권과 농어촌권 고령자의 여가통행시간에 영향을 미치는 주요변수는 버스배차간격, 버스노선수, 가구원수, 가구월평균수입으로 나타났다. 비고령자의 경우에는 고령자의 중요 영향변수 이외 지역경제(GRDP, 경제활동참가율)환경과 고용형태도 여가통행시간에 영향을 미치는 중요 변수로 나타났다. 한편, 농어촌권에 거주하는 여성고령자는 남성고령자 보다 여가통행시간에 더 민감하나 비고령자그룹은 남녀별로 큰 차이가 없는 것으로 분석되었다.