摘要：Thanks to the fast improvement of the computing power and the rapid development of the computational chemistry and biology,the computer-aided drug design techniques have been successfully applied in almost every stage of the drug discovery and development pipeline to speed up the process of research and reduce the cost and risk related to preclinical and clinical *** to the development of machine learning theory and the accumulation of pharmacological data, the artificial intelligence(AI) technology, as a powerful data mining tool, has cut a figure in various fields of the drug design, such as virtual screening,activity scoring, quantitative structure-activity relationship(QSAR) analysis, de novo drug design, and in silico evaluation of absorption, distribution, metabolism, excretion and toxicity(ADME/T) properties. Although it is still challenging to provide a physical explanation of the AI-based models, it indeed has been acting as a great power to help manipulating the drug discovery through the versatile frameworks. Recently, due to the strong generalization ability and powerful feature extraction capability,deep learning methods have been employed in predicting the molecular properties as well as generating the desired molecules,which will further promote the application of AI technologies in the field of drug design.

摘要：围岩稳定是地下岩体工程中的核心问题。当结构面产状比较复杂时,这些结构面与临空面组合,会形成一些可能失稳的关键块体,对这些块体的稳定性分析及加固设计尤为重要。采用空间拓扑理论及刚体极限平衡法,搜索出了潜在失稳块体,并对其稳定性安全系数进行了计算。算例表明,地下洞室块体稳定性分析对施工及运行期间的安全很有必要。

摘要：大功率高精度电流标准源是HVDC输电系统中直流电流互感器现场校验用的关键设备之一,但目前已商业化的电源设备无法同时满足现场校验用的多重要求,如功率大、精度高、便于携带以及可满电流多量程调节等。本文考虑现场校验用电流标准源工作过程中负载不变,只存在供电电压扰动及多量程调节需要,研究了一种交错并联移相全桥倍流整流电路结构,并基此模型设计了小惯性电流跟踪控制器,通过仿真实验验证了该电流标准源输出精度达到0.002级,满足校验0.5级、0.02级以及0.01级电流互感器现场校验用的电流标准源精度要求。

摘要：以旅游体验为理论指导,在新疆民族体育旅游资源评价的基础上,采用ASEB栅格分析法为研究工具,从新疆地区的民族体育旅游产品现状出发,对新疆民族体育带给消费者的个性化、体验化、情感化的体验满意度进行深度研究,提出全程民族体育文化渗透的体验式旅游开发的思路与对策,并在此基础上设计出极具特色的新疆民族体育旅游设计的产品谱系.