通过药物分子设计( 通过药物分子设计(Molecular drug design)或对具有一 design) 定生物活性化合物的分离、鉴定或结构修饰，获得 新化学实体( 新化学实体(New chemical entities)，创制可用于...
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computer aided molecular drug design 计算机辅助药物分子设计
Drug Molecular Design 药物分子设计
design as molecular drug 分子药物设计
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。
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