| 摘要 |
PURPOSE:To selectively load ring structure important as reaction by sorting a ring expressed as an imaginary transition structure/coupling table into plural sorts and detecting one reference ring out of these sorted rings. CONSTITUTION:About chemical reaction information expressed as the imaginary transition structure/coupling table expressing couplings between respective nodes by distinguishing them into three sorts consisting of couplings existing only in a starting substance, coupling existing only in a formed substance and couplings existing in both the starting substance and formed substance in common, a ring relating to a reaction is extracted at first, and then the obtained ring is sorted into 5 sorts (bridges for opened rings, bridges for closed rings, bridges for transfer, fixed rings, other rings) on the basis of the sorts of couplings. Consequently, information relating to the set of reference rings important for the description of reaction can be obtained as a graphic, a coupling table or codes.
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