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按照药物分子的拓扑指数解释药物的理化和药理作用是当前分子药理学的一个趋势。这些指数把分子的结构或一般拓扑形状译制成一个“数字指数”,后者可用来研究分子结构的物理和生物学性质的相关性并预测这些性质。
According to the topological index of drug molecules to explain the physicochemical and pharmacological effects of drugs is a trend of molecular pharmacology. These indices translate the molecular structure or general topological shape into a “numerical index” that can be used to study the correlation between the physical and biological properties of the molecular structure and to predict these properties.