AIM: To construct 3d QSAR models of drugs passing through the blood brain barrier (BBB), that provide a theoretical basis for molecular drug design.
目的：建立药物透过血脑屏障的三维构效模型，为药物分子设计提供理论依据。
These results may provide valuable information and thinking on the drug molecular design and related enzymic structure analysis.
这些结果可能为药物分子设计和相关酶的结构分析提供了某些信息和思路。
Computer-aided molecular design (CAMD) is now an uprising subject in medicinal chemistry among which structure-based rational drug design is attracting more and more attention.
计算机辅助药物分子设计近年来已成为新药创制的重要手段。 基于结构的合理药物分子设计则是多学科交互融合和渗透的体现。
Docking results show these programs can be applied in drug molecular design efficiently.
实测算例表明，这些程序能够有效地用于药物分子设计。
This paper discusses the structure, design and software development of molecular multimedia databases for drug discovery.
文章讨论了在新药物发现与设计中化学分子数据库的结构、设计和应用软件的开发。
The obtained molecules can be transferred in to the Peking University Drug Design System (PKUDDS) for molecular visualization and analyses.
查询得到的分子可以直接在北京大学药物设计系统(PKUDDS)中进行三维结构的显示和分析。
The obtained molecules can be transferred in to the Peking University Drug Design System (PKUDDS) for molecular visualization and analyses.
查询得到的分子可以直接在北京大学药物设计系统(PKUDDS)中进行三维结构的显示和分析。
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