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121.
    
ABSTRACT

Over the past years, the European Food Safety Authority (EFSA) released to the public domain several databases, with the main objectives of collecting and storing hazard data on the substances considered in EFSA’s risk assessment and secondly to serve as a basis for further development of in silico tools such as quantitative structure–activity relationship (QSAR) models. In this work, we evaluated the ability of freely available QSAR models to estimate genotoxicity and carcinogenicity properties and their possible use for screening purposes on three different EFSA’s databases. With an accuracy close to 90%, the results showed good capabilities of QSAR models to predict genotoxicity in terms of bacterial reverse mutation test, while statistics for in vivo micronucleus test are not satisfactory (accuracy in the predictions close to 50%). Interestingly, results on the carcinogenicity assessment showed an accuracy in prediction close to 70% for the best models. In addition, an example of the potential application of in silico models is presented in order to provide a preliminary screening of genotoxicity properties of botanicals intended for use as food supplements.  相似文献   
122.
水稻株高是水稻本身以及土壤、水文、气象等因素的综合反映,是水稻长势监测的重要指标。准确、高效、大范围的株高反演为水稻品种识别、物候监测、病虫害评估和产量预测等提供了可靠的依据。合成孔径雷达(SAR),具有全天时、全天候、穿透性的优势,成为水稻株高反演的重要手段之一。基于极化干涉测量(PolInSAR)的散射模型的反演算法具有严密的物理模型的支撑及较高的反演精度等特点,成为植被高度反演研究的热点。结合极化干涉SAR技术,构建了一种基于RVoG(Random Volume over Ground)模型的水稻株高反演算法,并利用2015年水稻生长季内9个时相的TanDEM-X极化干涉SAR数据,进行了水稻株高反演试验。首先基于每个时相下的极化干涉SAR数据分别得到8个复相干系数,利用这8个复相干系数在考虑卫星双站模式等情况下进行去相干处理,然后建立适用于水稻田特性的RVoG模型,接着构建基于该模型的水稻株高反演迭代算法,最后对9个时相下的TanDEM-X数据进行研究区的水稻株高反演及精度评定。结果表明,当水稻株高高于0.4m时,该方法的反演结果较好,决定系数(R2)为0.86,均方根误差RMSE为6.79 cm; 当水稻株高较低时(水稻株高小于0.4 m),反演误差在0.1~0.8 m之间,反演结果较差,被明显高估。通过分析认为,基于极化干涉理论,TanDEM-X数据在较好地反映出水稻植株的较大体散射量的前提下,利用所构建的基于RVOG模型的水稻株高反演算法,能够较好地反演株高在0.33~1.2 m的水稻株高。  相似文献   
123.
A 4×4 planar array of modified box-horns as a microwave hyperthermia applicator is theoretically studied to characterize power deposition (SAR) in heating tissue (muscle) at 2450 MHz. A modified box-horn is a novel improved version of conventional box-horn in which horn exciting the box waveguide is flared in both E-and H-planes. Modified box-horn supports TE10 and TE30 modes. The amplitude distribution over the H-plane of the box-horn aperture is a closer approximation to the uniform distribution. It is proposed that the interior of the box-horn be filled with water to provide a better impedance match to biological tissue. By applying Fresnel-Kirchhoff scalar diffraction field theory, the expression for electric field in heating region is derived and distribution of specific absorption rate (SAR) in that region due to planar array of modified box-horns as direct contact applicator is evaluated at 2450 MHz. The results of modified box-horn array are compared with those of a single modified box-horn operating at the same frequency. Results demonstrate that planar array of modified box-horns offers improvement in SAR distribution and penetration depth. It is shown that by changing the phase and amplitude of excitation of the modified box-horns of the array, the relative amplitude and position of the hot spot can be changed. The present analysis is validated through the results obtained by plane wave spectral technique.  相似文献   
124.
黄酮体化合物抗肿瘤活性的量子化学研究   总被引:9,自引:0,他引:9  
本文对黄酮类化合物抗肿瘤活性进行了量子化学研究。采用从头算方法计算了黄酮体化合物的电荷分布,并基于电荷分布提出了黄酮体化合物表现抗肿瘤活性时与受体作用的模型:A环与受体的负电荷中心结构,C环与受体的正电荷中心结合,其他部分通过氢键与受体发生作用,氢键在受体的作用中起到很大的作用。  相似文献   
125.
INS/GPS/SAR 组合导航系统研究   总被引:2,自引:1,他引:2  
INS/GPS/SAR组合导航系统是一种高精度、高容错、多功能系统。本文介绍了它的组合原理和方法。仿真结果证明,该组合导航系统是一个高性能的导航系统。  相似文献   
126.
为了提高捷联惯导(SINS)/天文导航(CNS)/合成孔径雷达(SAR)组合导航系统的定位精度,在吸收模型预测滤波和抗差自适应滤波算法优点的基础上,提出了一种新的抗差自适应模型预测滤波算法。该算法首先利用模型预测滤波估计出系统模型误差,并对其进行实时修正,以抑制系统模型误差对导航解算精度的影响;然后利用抗差自适应因子控制观测异常,抑制观测噪声对导航解算精度的影响。将提出的算法应用于SINS/CNS/SAR组合导航系统进行仿真验证,并与抗差自适应滤波进行比较,结果表明,提出的算法得到的姿态误差、速度误差和位置误差分别在[0.2,0.2]、[0.3m/s,0.3m/s]和[6 m,6 m]以内,滤波性能明显优于抗差自适应滤波算法,说明该算法能有效抑制系统模型误差及观测异常对导航解的影响,提高组合导航的解算精度。  相似文献   
127.
《Comptes Rendus Physique》2013,14(5):418-424
The objective of this paper is to investigate and to analyse the influence of the laterality of mobile phone use on the exposure of the brain to radio-frequencies (RF) and electromagnetic fields (EMF) from different mobile phone models using the finite-difference time-domain (FDTD) method.The study focuses on the comparison of the specific absorption rate (SAR) induced on the right and left sides of two numerical adult and child head models. The heads are exposed by both phone models operating in GSM frequency bands for both ipsilateral and contralateral configurations. A slight SAR difference between the two sides of the heads is noted. The results show that the variation between the left and the right sides is more important at 1800 MHz for an ipsilateral use. Indeed, at this frequency, the variation can even reach 20% for the SAR10g and the SAR1g induced in the head and in the brain, respectively. Moreover, the average SAR induced by the mobile phone in the half hemisphere of the brain in ipsilateral exposure is higher than in contralateral exposure. Owing to the superficial character of energy deposition at 1800 MHz, this difference in the SAR induced for the ipsilateral and contralateral usages is more significant at 1800 MHz than at 900 MHz. The results have shown that depending on the phantom head models, the SAR distribution in the brain can vary because of differences in anatomical proportions and in the geometry of the head models. The induced SAR in child head and in sub-regions of the brain is significantly higher (up to 30%) compared to the adult head.This paper confirms also that the shape/design of the mobile and the location of the antenna can have a large influence at high frequency on the exposure of the brain, particularly on the SAR distribution and on the distinguished brain regions.  相似文献   
128.
    
Gambogic acid (GA, 1 ), the most prominent member of Garcinia natural products, has been reported to be a promising anti‐tumor agent. Previous studies have suggested that the planar B ring and the unique 4‐oxa‐tricyclo[4.3.1.03,7]dec‐2‐one caged motif were essential for anti‐tumor activity. To further explore the structure‐activity relationship (SAR) of caged Garcinia xanthones, two new series of B‐ring modified caged GA analogues 13a – 13e and 15a – 15e were synthesized utilizing a Claisen/Diel‐Alder cascade reaction. Subsequently, these compounds were evaluated for their in vitro anti‐tumor activities against A549, MCF‐7, SMMC‐7721 and BGC‐823 cancer cell lines by MTT assay. Among them, 13b – 13e exhibited micromolar inhibition against several cancer cell lines, being approximately 2–4 fold less potent in comparison to GA. SAR analysis revealed that the peripheral gem‐dimethyl groups are essential for maintaining anti‐tumor activity and substituent group on C1 position of B‐ring has a significant effect on potency, while modifications at C‐2, C‐3 and C‐4 positions are relatively tolerated. These findings will enhance our understanding of the SAR of Garcinia xanthones and lead to the development of simplified analogues as potential anti‐tumor agents.  相似文献   
129.
    
Recent availability of large publicly accessible databases of chemical compounds and their biological activities (PubChem, ChEMBL) has inspired us to develop a web‐based tool for structure activity relationship and quantitative structure activity relationship modeling to add to the services provided by CHARMMing ( www.charmming.org ). This new module implements some of the most recent advances in modern machine learning algorithms—Random Forest, Support Vector Machine, Stochastic Gradient Descent, Gradient Tree Boosting, so forth. A user can import training data from Pubchem Bioassay data collections directly from our interface or upload his or her own SD files which contain structures and activity information to create new models (either categorical or numerical). A user can then track the model generation process and run models on new data to predict activity. © 2014 Wiley Periodicals, Inc.  相似文献   
130.
—本文介绍了INS/SAR(合成孔径雷达)组合导航系统中的误差修正原理和方法,描述了如何获得观测量和构造INS/SAR组合滤波器。给出的仿真结果证明,这种修正方法能大大提高导航精度,并且具有很强的初始捕获和对准能力。  相似文献   
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