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本文用HMO法对氨基吖啶类化合物进行了量子化学计算;根据量化指标探讨了其抑菌活性与分子结构间的关系,推测了药物分子产生抑菌作用的活性中心。
In this paper, amino acridine compounds were calculated by HMO quantum chemistry calculations; according to quantitative indicators to explore the relationship between antibacterial activity and molecular structure, speculated that drug molecules inhibitory activity of the active center.