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11.
Eric Gifford Mark Johnson Chun-che Tsai 《Journal of computer-aided molecular design》1991,5(4):303-322
Summary The metabolic pathways of medazepam, oxazepam, and diazepam were modeled using graph-theoretic transforms which are incorporable into computer-assisted metabolic analysis programs. The information, represented in the form of a graph-theoretic transform kit, which was obtained from these pathways was then used to predict the metabolites of other benzodiazepine compounds. The transform kits gave statistically significant predictions with respect to a statistical method for evaluating the performance of the transform kits. 相似文献
12.
J. M. Kumpula J. Saramäki K. Kaski J. Kertész 《The European Physical Journal B - Condensed Matter and Complex Systems》2007,56(1):41-45
According to Fortunato and Barthélemy, modularity-based community detection
algorithms have a resolution threshold such that small communities in a large
network are invisible. Here we generalize their work and show that the q-state
Potts community detection method introduced by Reichardt and Bornholdt
also has a resolution threshold. The model contains a parameter by which this threshold can be tuned, but no a priori principle
is known to select the proper value.
Single global optimization criteria do not seem capable for detecting all
communities if their size distribution is broad. 相似文献
13.
Characterization of spherical particles using high-order neural networks and scanning flow cytometry
Vladimir V. Berdnik Alexander Shvalov Valeri Maltsev Valery A. Loiko 《Journal of Quantitative Spectroscopy & Radiative Transfer》2006,102(1):62-72
We retrieve the radius R, real n and imaginary k parts of the refractive index of homogeneous spherical particles using angular distribution of the light-scattering intensity. To solve the inverse light-scattering problem we use a high-order neural-network technique. The effect of network parameters on optimization is examined. The technique is evaluated for noise-corrupted input data at 0.6 μm<R<10.6 μm, 1.02<n<1.38, and 0<k<0.03. The errors of retrieval for nonabsorbing particles do not exceed 0.05 μm for radius and 0.015 for refractive index. The experimental verification is fulfilled by experimental data retrieved by means of a scanning flow cytometer. The light-scattering profiles of polystyrene beads and spherized red blood cells are processed with the high-order neural networks and a non-linear regression at Mie theory. The parameters retrieved by the high-order neural networks correlate well with the parameters retrieved by the least-square method. 相似文献
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I.TntroductionStatisticalandneuralnetworkmcthodsforpatternclassiflcationusesignificantlydifTerentapproachesintrainingaclassificr.Inthestatistica1approach,thcformationofaclassifier1arge1ydependsonthestatisticsofthetrainingpatternsand,insomecases,theassumptionsaboutthedistributionofthepopulation.Theneuralnetworkmethodisnon-parametricandcanbeadaptivcinthetrainingprocessl'l.Becauseofitssimplicityandflexibility,theneuralnetworkhasbecnincreasing1yusedforpatternclassiflcation.Itisnowwe11knownthatan… 相似文献
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The self-organizing map (a neural network) was applied to the spectral pattern recognition of voice quality in 34 subjects: 15 patients operated on because of insufficient glottal closure and 19 subjects not treated for voice disorders. The voice samples, segments of sustained /a/, were perceptually rated by six experts. A self-organized acoustic feature map was first computed from tokens of /a/ and then used for the analysis of the samples. The locations of the samples on the map were determined and the distances from a normal reference were compared with the perceptual ratings. The map locations corresponded to the degree of audible disorder: the samples judged as normal were overlapping or close to the normal reference, whereas the samples judged as dysphonie were located further away from it. The comparison of pre- and postoperative samples of the patients showed that the perceived improvement of voice quality was also detected by the map. 相似文献
17.
面向对象程序设计已成为90年代程序设计的主流,它采用全新的方法来求解问题,本文在概述面向对象程序设计的基础上,着重介绍了用面向对象程序设计语言C(++)来表示神经网络结构和学习算法,介绍了实现BP和BAM网络的软件模拟技术,并给出了一个应用实例。 相似文献
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用人工神经网络和多元回归方法对含2个碳的21个卤代化合物的35个化学位移进行计算机图像模拟,结果表明,人工神经网络方法优于多元回归方法,同时此种方法处理这类问题有明显的优势,波谱模拟技术在有机化合物结构解析中是非常有用的方法。 相似文献
20.
人工神经网络方法预测气相色谱保留值 总被引:8,自引:2,他引:8
本文运用一典型的人工神经网络模型-“反向传播“模型的改进形式,研究了诱导效应指数I,摩尔折射度Ro,疏水亲脂参数IgP,以及分子联通性指数与气象色谱保留行为的关系,实现了对色谱保留植的预测。神经网络预测模型的最大相对误差不超过8.7%。结果表明,该方法性能良好,可望成为色谱保留值预测的有效手段。 相似文献