| 摘要 |
PURPOSE:To execute concisely and exactly a retrieval by storing a number of other chemical unit which is coupled chemically at every number which has been put to a chemical unit, and storing plural pieces of attributes for expressing a chemical characteristic. CONSTITUTION:A number is put optionally to each atom (node) except hydrogen of a chemical structure formula, and a table in which each number is a line number (the first column) is prepared. A kind of an element of each node, an attribute ( a code for expressing a chemical feature), a number of the node to which its node is coupled, and a kind (single bond:1, double bond:2, triple bond:3, aromatic ring bond:4) are described in the second column of the table, the third column, the fourth column, and the fifth column, respectively. When executing a retrieval, each node of a chemical structure formula of a question and each node of a chemical structure formula which has been stored in a file are made to correspond to each other one by one, and the coincidence is inspected.
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