• 제목/요약/키워드: Linear Structure Relationships

검색결과 78건 처리시간 0.032초

Precision indices of neural networks for medicines: structure-activity correlation relationships

  • Zhu, Hanxi;Aoyama, Tomoo;Yoshihara, Ikuo;Lee, Seung-Woo;Kim, Wook-Hyun
    • 제어로봇시스템학회:학술대회논문집
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    • 제어로봇시스템학회 2000년도 제15차 학술회의논문집
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    • pp.481-481
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    • 2000
  • We investigated the structure-activity relationships on use of multi-layer neural networks. The relationships are techniques required in developments of medicines. Since many kinds of observations might be adopted on the techniques, we discussed some points between the observations and the properties of multi-layer neural networks. In the structure-activity relationships, an important property is not that standard deviations are nearly equal to zero for observed physiological activity, but prediction ability for unknown medicines. Since we adopted non-linear approximation, the function to represent the activity can be defined by observations; therefore, we believe that the standard deviations have not significance. The function was examined by "leave-one-out" method, which was originally introduced for the multi-regression analysis. In the linear approximation, the examination is significance, however, we believe that the method is inappropriate in case of nonlinear fitting as neural networks; therefore, we derived a new index fer the relationships from the differential of information propagation in the neural network. By using the index, we discussed physiological activity of an anti-cancer medicine, Mitomycine derivatives. The neuro-computing suggests that there is no direction to extend the anti-cancer activity of Mitomycine, which is close to the trend of anticancer developing.

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Quantitative structure activity relationships for medicines based on use of neural networks

  • Aoyama, Tomoo;Zhu, Hanxi;Nagashima, Umpei
    • 제어로봇시스템학회:학술대회논문집
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    • 제어로봇시스템학회 2000년도 제15차 학술회의논문집
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    • pp.518-518
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    • 2000
  • We have researched quantitative structure activity relationships between molecular structure of medicines and physiological activity. Since they are non-linear, neural networks are useful tool to research them. There are many ranks for the non-linearity; therefore, the neuron function must be selected carefully. As the results of some trial calculations, Ire find the sigmoid-linear functions pair. We call the neural network constructed of the pair as ANN. The inter- or extrapolation abilities of the ANN are excellent; therefere, ANN is a superior predictor for the relationships. We evaluated the anticarcinogenic medicines, Carboquinone derivatives, by the developed ANN and leave-one-out method.

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CERES Plot in Generalized Linear Models

  • Kahng, Myung-Wook;Lee, Eun Jeong
    • Communications for Statistical Applications and Methods
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    • 제11권3호
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    • pp.575-582
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    • 2004
  • We explore the structure and usefulness of CERES plot as a basic tool for dealing with curvature as a function of the new predictor in generalized linear models. If a predictor has a nonlinear effect and there are nonlinear relationships among the predictors, the partial residual plot and augmented partial residual plot are not able to display the correct functional form of the predictor. Unlike these plots, the CERES plot can show the correct form. This is illustrated by simulated data.

A neural network model to assess the hysteretic energy demand in steel moment resisting frames

  • Akbas, Bulent
    • Structural Engineering and Mechanics
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    • 제23권2호
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    • pp.177-193
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    • 2006
  • Determining the hysteretic energy demand and dissipation capacity and level of damage of the structure to a predefined earthquake ground motion is a highly non-linear problem and is one of the questions involved in predicting the structure's response for low-performance levels (life safe, near collapse, collapse) in performance-based earthquake resistant design. Neural Network (NN) analysis offers an alternative approach for investigation of non-linear relationships in engineering problems. The results of NN yield a more realistic and accurate prediction. A NN model can help the engineer to predict the seismic performance of the structure and to design the structural elements, even when there is not adequate information at the early stages of the design process. The principal aim of this study is to develop and test multi-layered feedforward NNs trained with the back-propagation algorithm to model the non-linear relationship between the structural and ground motion parameters and the hysteretic energy demand in steel moment resisting frames. The approach adapted in this study was shown to be capable of providing accurate estimates of hysteretic energy demand by using the six design parameters.

Graphical Methods for Hierarchical Log-Linear Models

  • Hong, Chong-Sun;Lee, Ui-Ki
    • Communications for Statistical Applications and Methods
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    • 제13권3호
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    • pp.755-764
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    • 2006
  • Most graphical methods for categorical data can describe the structure of data and represent a measure of association among categorical variables. Among them the polyhedron plot represents sequential relationships among hierarchical log-linear models for a multidimensional contingency table. This kind of plot could be explored to describe the differences among sequential models. In this paper we suggest graphical methods, containing all the information, that reflect the relationship among all log-linear models in a certain hierarchical structure. We use the ideas of a correlation diagram.

Association Analysis of Charcoal Rot Disease Resistance in Soybean

  • Ghorbanipour, Ali;Rabiei, Babak;Rahmanpour, Siamak;Khodaparast, Seyed Akbar
    • The Plant Pathology Journal
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    • 제35권3호
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    • pp.189-199
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    • 2019
  • In this research, the relationships among the 31 microsatellite markers with charcoal rot disease resistance related indices in 130 different soybean cultivars and lines were evaluated using association analysis based on the general linear model (GLM) and the mixed linear model (MLM) by the Structure and Tassel software. The results of microsatellite markers showed that the genetic structure of the studied population has three subpopulations (K=3) which the results of bar plat also confirmed it. In association analysis based on GLM and MLM models, 31 and 35 loci showed significant relationships with the evaluated traits, respectively, and confirmed considerable variation of the studied traits. The identified markers related to some of the studied traits were the same which can probably be due to pleiotropic effects or tight linkage among the genomic regions controlling these traits. Some of these relationships were including, the relationship between Sat_252 marker with amount of charcoal rot disease, Satt359, Satt190 and Sat_169 markers with number of microsclerota in stem, amount of charcoal rot disease and severity of charcoal rot disease, Sat_416 marker with number of microsclerota in stem and amount of charcoal rot disease and the Satt460 marker with number of microsclerota in stem and severity of charcoal rot disease. The results of this research and the linked microsatellite markers with the charcoal rot disease-related characteristics can be used to identify the suitable parents and to improve the soybean population in future breeding programs.

정량적인 구조-활성상관(QSAR) 기법에 의한 새로운 농약의 개발 I. 기본 개념과 QSAR 기법의 유형 (Development of new agrochemicals by quantitative structure-activity relationship (QSAR) methodologies. I. The basic concepts and types of QSAR methodologies)

  • 성낙도
    • 농약과학회지
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    • 제6권3호
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    • pp.166-174
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    • 2002
  • 정량적인 분자 구조와 물리-화학적인 성질 사이의 상관관계(QSAR)식을 이용하여 약효성을 예측하고 새로운 농약을 탐색하거나 개발하는데 있어서 효율적인 수단으로 활용되는 QSAR 기법의 발전 과정과 자유 에너지 직선관계(LFER)에 관한 기본 개념을 위시한 QSAR 기법의 목적과 유용성 그리고 장단점과 활용 상 제한점 등에 관한 일반적인 내용에 대하여 간략하게 논의하였다.

Mechanical Properties of Cement Mortar: Development of Structure-Property Relationships

  • Ghebrab, Tewodros Tekeste;Soroushian, Parviz
    • International Journal of Concrete Structures and Materials
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    • 제5권1호
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    • pp.3-10
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    • 2011
  • Theoretical models for prediction of the mechanical properties of cement mortar are developed based on the morphology and interactions of cement hydration products, capillary pores and microcracks. The models account for intermolecular interactions involving the nano-scale calcium silicate hydrate (C-S-H) constituents of hydration products, and consider the effects of capillary pores as well as the microcracks within the hydrated cement paste and at the interfacial transition zone (ITZ). Cement mortar was modeled as a three-phase material composed of hydrated cement paste, fine aggregates and ITZ. The Hashin's bound model was used to predict the elastic modulus of mortar as a three-phase composite. Theoretical evaluation of fracture toughness indicated that the frictional pullout of fine aggregates makes major contribution to the fracture energy of cement mortar. Linear fracture mechanics principles were used to model the tensile strength of mortar. The predictions of theoretical models compared reasonably with empirical values.

일반화선형모형에서의 3차원 CERES그림 (Three Dimensional CERES Plot in Generalized Linear Models)

  • 강명욱;김부용;전진영
    • 응용통계연구
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    • 제21권1호
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    • pp.169-176
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    • 2008
  • 일반화선형모형 에서 추가되는 설명 변수의 비선형성의 존재와 형태를 파악하는데 사용되는 3차원 CBRBS그림의 구조와 유용성에 대해 알아본다. CBRBS그림은 설명변수들 사이에 비선형의 관계가 존재하는 경우 편잔차그림으로는 알아낼 수 없는 비선형성에 대한 탐지가 가능하다. 이를 생성된 자료를 이용하여 확인해 본다.

Capacity spectrum method based on inelastic spectra for high viscous damped buildings

  • Bantilas, Kosmas E.;Kavvadias, Ioannis E.;Vasiliadis, Lazaros K.
    • Earthquakes and Structures
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    • 제13권4호
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    • pp.337-351
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    • 2017
  • In the present study a capacity spectrum method based on constant ductility inelastic spectra to estimate the seismic performance of structures equipped with elastic viscous dampers is presented. As the definition of the structures' effective damping, due to the damping system, is necessary, an alternative method to specify the effective damping ratio ${\xi}eff$ is presented. Moreover, damping reduction factors (B) are introduced to generate high damping elastic demand spectra. Given the elastic spectra for damping ratio ${\xi}eff$, the performance point of the structure can be obtained by relationships that relate the strength demand reduction factor (R) with the ductility demand factor (${\mu}$). As such expressions that link the above quantities, known as R - ${\mu}$ - Τ relationships, for different damping levels are presented. Moreover, corrective factors (Bv) for the pseudo-velocity spectra calculation are reported for different levels of damping and ductility in order to calculate with accuracy the values of the viscous dampers velocities. Finally, to evaluate the results of the proposed method, the whole process is applied to a four-storey reinforced concrete frame structure and to a six-storey steel structure, both equipped with elastic viscous dampers.