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本文拟探索聚类分折、判别分析及量子化学CNDO/2法在新药设计中的联合应用。天然活性物质马兜铃酸(Ⅰ)及其异构体(Ⅱ)可结构简化为取代肉桂酸(Ⅲ),可能具有类似的免疫激发活性。
This article intends to explore the combination of clustering analysis, discriminant analysis and quantum chemistry CNDO / 2 in the design of new drugs in the joint application. The natural active substance aristolochic acid (Ⅰ) and its isomer (Ⅱ) can be structurally simplified to replace cinnamic acid (Ⅲ) and may have similar immunostimulatory activity.