通用反应的机器学习:一种确定最大公共子结构的有效算法

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI:10.1016/0898-5529(90)90061-C

Christian Tonnelier, Philippe Jauffret ∗, Thierry Hanser, Gérard Kaufmann

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引用次数: 17

摘要

在计算机辅助综合规划知识自动获取的背景下，提出了一种识别反应图间最大公共子结构的有效算法。首先，问题的项是完全指定的。然后，给出了求解该问题的方法，并逐步进行了发展。形式化算法作为附录提出。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Machine learning of generic reactions: 3. an efficient algorithm for maximal common substructure determination

In the context of automatic knowledge acquisition for computer-assisted synthesis planning, this paper presents an efficient algorithm for the identification of the maximal common substructures between reaction graphs. The terms of the problem are first completely specified. Then, the method used to solve it is presented and developed step by step. The formal algorithm is proposed as an appendix.

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