Quantitative pharmacophore models with inductive logic programming

Three-dimensional models, or pharmacophores, describing Euclidean constraints on the location on small molecules of functional groups (like hydrophobic groups, hydrogen acceptors and donors, etc.), are often used in drug design to describe the medicinal activity of potential drugs (or ‘ligands’). This medicinal activity is produced by interaction of the functional groups on the ligand with a binding site on a target protein. In identifying structure-activity relations of this kind there are three principal issues: (1) It is often difficult to “align” the ligands in order to identify common structural properties that may be responsible for activity; (2) Ligands in solution can adopt different shapes (or `conformations’) arising from torsional rotations about bonds. The 3-D molecular substructure is typically sought on one or more low-energy conformers; and (3) Pharmacophore models must, ideally, predict medicinal activity on some quantitative scale. It has been shown that the logical representation adopted by Inductive Logic Programming (ILP) naturally resolves many of the difficulties associated with the alignment and multi-conformation issues. However, the predictions of models constructed by ILP have hitherto only been nominal, predicting medicinal activity to be present or absent. In this paper, we investigate the construction of two kinds of quantitative pharmacophoric models with ILP: (a) Models that predict the probability that a ligand is “active”; and (b) Models that predict the actual medicinal activity of a ligand. Quantitative predictions are obtained by the utilising the following statistical procedures as background knowledge: logistic regression and naive Bayes, for probability prediction; linear and kernel regression, for activity prediction. The multi-conformation issue and, more generally, the relational representation used by ILP results in some special difficulties in the use of any statistical procedure. We present the principal issues and some solutions. Specifically, using data on the inhibition of the protease Thermolysin, we demonstrate that it is possible for an ILP program to construct good quantitative structure-activity models. We also comment on the relationship of this work to other recent developments in statistical relational learning. Editors: Tamás Horváth and Akihiro Yamamoto     

Accurate estimation of capacities and cross-traffic of all links in a path using ICMP timestamps

The estimation of the link capacity and its available bandwidth in an end-to-end path is crucial for network management, admission control and flow control for adaptive applications. This paper introduces an estimation mechanism able to accurately estimate the available bandwidth of all links in an end-to-end path, through its capacity and cross-traffic estimation. The estimation procedures resort to the dispersions of packet pairs and trains using the concepts of ICMP Timestamp and Traceroute that, efficiently used together, enable the measurement of the dispersions in all links in the path. These mechanisms were evaluated through simulation experiments, where we analyzed the influence of the several network parameters on each estimation mechanism. The results show that these estimation methods are able to accurately estimate both the capacity and the cross-traffic of all links in a path with moderate length and with low overhead.     

加强电站无功管理

加强电站无功管理，不但能改善供电质量，满足电网的要求，提高单位的经济效益，而且使设备的安全运行得到了保障。     

应用激光活化饵料藻种的研究

应用Nd:YAG激光(波长1.06μm,功率5w,照射时间0.5-3 min)和Ar+激光(波长488nm,功率70mw,照射时间5-15min)对长期保存的不同保存形式的塔胞藻(Pyramidomonassp.)进行辐照处理。研究了不同剂量激光辐照对藻体生长和叶绿素含量的影响。实验结果表明:照射剂量为60s的Nd:YAG激光及剂量为15min的Ar+激光对液体保存形式的藻种有较明显的促长效果,接种后这两种激光处理组的比生长速率分别较对照提高达53.33%和28.89%,叶绿素含量分别增加73.33%和65.69%。两种激光对液体保存藻种的活化效果均好于固体保存种。     

High resistivity measurement of SiC wafers using different techniques

To establish fast, nondestructive, and inexpensive methods for resistivity measurements of SiC wafers, different resistivity-measurement techniques were tested for characterization of semi-insulating SiC wafers, namely, the four-point probe method with removable graphite contacts, the van der Pauw method with annealed metal and diffused contacts, the current-voltage (I-V) technique, and the contactless resistivity-measurement method. Comparison of different techniques is presented. The resistivity values of the semi-insulating SiC wafer measured using different techniques agree fairly well. As a result, application of removable graphite contacts is proposed for fast and nondestructive resistivity measurement of SiC wafers using the four-point probe method. High-temperature van der Pauw and room-temperature Hall characterization for the tested semi-insulating SiC wafer was also obtained and reported in this work.     

变换域数字水印处理技术

数字水印是信息安全领域的一项新技术,给出了相对明确的定义。着重分析了变换域数字水印系统的特征及常见攻击,给出了一些相应的对策。最后指出变换域水印的重要问题,即频率的选择问题。     

计算机网络安全系统设计

分析了现代计算机网络所面临的威胁和各种安全问题,同时提出了在设计一个有关网络系统时应该考虑的一些安全问题,如网络安全策略与技术、网络的访问控制、网络数据加密技术、信息隐藏技术等安全问题。     

氨精制装置运行问题分析及改造措施

通过分析中国石油兰州石化分公司炼油厂氨精制装置存在的运行问题,提出了相应的改造措施,包括在分凝器脱液管线上新增隔离阀门、更换三级冷凝冷却器、更换氨压缩机及采用低温结晶脱硫工艺等。改造后装置运行结果表明:三级分凝器出口温度由70℃降至小于35℃,压缩机吸气量由5 m3/m in提高至74 m3/m in,原料酸性水中硫化氢质量分数下降45.5%,氨质量分数下降55.5%,净化水合格率达100%,氨精制塔塔顶温度下降5~20℃,液氨中氨质量分数由97.05%上升至99.60%,液氨产量达0.125 t/h,实现了装置的长周期运行。     

An optimization model for placement of wavelength converters to minimize blocking probability in WDM networks

The introduction of wavelength converters in wavelength division multiplexing (WDM) networks can reduce the blocking probabilities of calls. In this paper, we study the problem of placing a given number of converters in a general topology WDM network such that the overall system blocking probability is minimized. The original contributions of this work are the following: 1) formulation of success probability in a network as a polynomial function of the locations of converters; 2) proposal of an optimization model of the converter placement problem as the minimization of a polynomial function of 0-1 variables under a linear constraint, so that standard optimization tools can be employed to solve the problem; and 3) design of a search algorithm that can efficiently find the optimal solution to the converter placement problem. Experiments have been conducted to demonstrate the effectiveness of the proposed model and the efficiency of the algorithm.     

用CMOS工艺实现VSR光电集成接收机的途径

介绍了10Gbit／s速率的甚短距离光传输系统VSR(Very Short Reach)中的接收机。分析了几种有希望用于VSR系统的CMOS工艺兼容的光电探测器。提出用CMOS电路实现VSR光电集成(OEIC)接收机的可能性和实现方法。