Three universal algorithms for geometrical comparison of abstract sets of n points in the Euclidean space R 3 are proposed. It is proved that at an accuracy ∊ the efficiency of all the algorithms does not exceed O(n 3/∊3/2). The most effective algorithm combines the known Hungarian and Kabsch algorithms, but is free of their deficiencies and fast enough to match hundreds of points. The algorithm is applied to compare both finite (ligands) and periodic (nets) chemical objects.

中文翻译：

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寻找点系统之间最短距离的通用算法

用于抽象集几何比较的三种通用算法n欧几里得空间中的点右 3被提议。证明了在精度∊时，所有算法的效率不超过氧（n 3/∊3/2）。最有效的算法结合了已知的匈牙利算法和卡布什算法，但没有它们的缺陷，并且速度足以匹配数百个点。该算法用于比较有限（配体）和周期性（网络）化学对象。