Activity-Directed Synthesis: A Flexible Approach for Lead Generation

Activity-directed synthesis (ADS) is a structure-blind, functional-driven molecular discovery approach. In this Concept, four case studies highlight the general applicability of ADS and showcase its flexibility to support different medicinal chemistry strategies. ADS deliberately harnesses reactions with multiple possible outcomes, and allows many chemotypes to be evaluated in parallel. Resources are focused on bioactive molecules, which emerge in tandem with associated synthetic routes. Some of the future challenges for ADS are highlighted, including the realisation of an autonomous molecular discovery platform. The prospects for ADS to become a mainstream lead generation approach are discussed.     

网格计算环境配置及资源创建

网格技术近年来发展迅猛,已被人们视为继Internet、Web之后的第三大技术浪潮。而Globus Toolkit4．0（GT4）现已成为构建网格环境和开发网格服务的首选平台。该论文讨论了网格服务的基本思想,分析了GT4的新特性及其在产业界的应用,探讨了在Windowsxp上安装和配置GT4的方法和过程,并且介绍了使用网格模拟器GridSim创建一个网格资源的过程。     

A resource broker with an efficient network information model on grid environments

This paper describes a resource broker whose main function is to match available resources to user needs. The resource broker provides a uniform interface for accessing available and appropriate resources via user credentials. We also focus on providing approximate measurement models for network-related information using NWS for future scheduling and benchmarking. We first propose a network measurement model for gathering network-related information (including bandwidth, latency, forecasting, error rates, etc.) without generating excessive system overhead. Second, we constructed a grid platform using Globus Toolkit that integrates the resources of five schools in Taichung integrated grid environment resources (TIGER). The resource broker runs on top of TIGER. Therefore, it provides security and current information about available resources and serves as a link to the diverse systems available in the Grid.

A Scalable Toolkit for Designing Multimedia Authoring Environments

This paper introduces Kaomi, a scalable toolkit for designing authoring environments of multimedia documents. The underlying concept is to provide the designer of multimedia applications with a fast method to get an authoring system based on a set of synchronized views (the presentation view for displaying the document, the scenario view for showing the temporal organization of the document, ...) so that each view is the support of editing actions. Kaomi is flexible enough to support a variety of multimedia documents declarative formats. It is indeed a scalable toolkit since it provides facilities for extending and/or for modifying the resulting authoring environment. In addition, cross-platform portability is provided which allows operation in the heterogenous Internet environment. The use of Kaomi is mainly described through the design of two authoring environments: one for authoring a sub-set of the Smil standard of the W3C and the other one for Madeus, a constraint based multimedia language.     

基于数据网格的分布式音乐服务器系统Gmusic

提出了Gmusic概念，Gmusic是利用数据网格的概念设计，在Globus Toolkit基础上开发的分布式音乐服务器系统，该系统主要利用了Globus Toolkit提供的对网格环境下文件的注册、发布、删除、拷贝、查询、远程访问、数据传输、安全性保护等功能。阐述了Gmusic系统的特点、结构分析和系统的实现。     

蛋白质关系网络可视化系统的研究与实现

蛋白质关系网络的研究在生物医学领域中已成为一个热点。研究者通过对蛋白质关系网络进行分析和聚类,能够发现其中的复合体,进一步理解细胞组织原理。在对关系网络进行分析的过程中,将网络拓扑显示为图形,以直观地表示出关系网络的结构,便于对比聚类方法,辅助关系网络的研究。利用网络建模与可视化工具包JUNG设计并实现了一个蛋白质关系网络可视化系统,它能够解析多种格式的蛋白质关系网络数据,集成了几种有效的图聚类算法,并实现了一种基于蛋白质功能标注的发现复合体的聚类算法。用户能够通过二维网络视图方便地观察原始网络和聚类后的结果。     

一种监测函数语义信息访存地址序列的方法

准确地获取应用程序在真实系统上运行的访存地址序列(traces)是进行内存系统调度及结构优化的基础.HMTT是自主研发的软硬件结合的内存监测分析系统,能够实时获取完整的全系统访存traces.但是得到的traces与应用程序上层事件之间存在语义鸿沟问题,比如上层函数执行流与访存traces的同步问题.针对该问题提出了一种软硬件结合获取包含函数级别语义信息访存traces的方法,软件方面通过二进制插桩的方式,直接修改内存中的进程映像,在目标函数的入口及出口各插入标记tag访存指令,进而能够被HMTT卡监测并识别.采用二进制插桩不需要程序的源代码,不需要对程序重新编译链接,而且引入的运行开销很小.实验表明采用软硬件结合的方式能够有效地获取包含函数级别语义信息的访存traces,对于SPECCPU2006中的访存密集型程序引入的性能开销只是原程序的62%,而使用Pin工具的纯软件方式获取访存traces将导致至少10.4倍的性能开销.     

基于DataSocket的雷达测距数据传输系统设计

为了迎合上海港港口对于集装箱堆放高度的网络化实时数据需要,采用虚拟仪器技术,通过LabVIEW软件来设计雷达测距数据远程传输系统,包括雷达信号采集处理、距离数据远程显示和存储数据库功能.通过采用线性调频连续波(LFMCW)雷达,测出了集装箱堆放高度;基于DataSocket通信技术,实现了实时数据的远程传输;借助Lab...     

基于Pro/toolkit的三片式平行分度凸轮CAD系统研究

采用面向对象的可视化开发工具Visual C＋＋6.0和Pro/toolkit开发了三片式平行分度凸轮的专用CAD系统。其主要思想是将全部的设计过程封装到系统内部,用户只需在界面上输入平行分度凸轮机构的必要几何参数和运动参数,即可得到所需尺寸的平行分度凸轮及其它零件的图形。该系统实现了三片式平行分度凸轮快速、准确的动态设计,可缩短产品设计开发周期,降低生产试制成本。     

实时控制系统软件的可靠性

为了保证实时控制系统的有效运行,除了满足其实时性要求外,可靠性也很重要。该文讨论了实时控制系统的软件可靠性问题,介绍了QNX的高可用性工具,并根据低杂波系统的分布式实时控制需求提出了通用可靠性模型。该模型为低杂波各子系统的开发提供了统一规范,有效保证了系统的可靠性。