| 摘要 |
PURPOSE:To quickly perform the extraction processing by determining an atom which is to be the center of a partial structure and searching only this center atom in a chemical structure formula before comparison of all atoms. CONSTITUTION:A center atom extracting part 1 which extracts the center atom of the partial structure of a fragment code and the coupling state or the like of this center atom before comparison of all atoms in the chemical structure formula and a center atom searching part 2 which discriminates whether an atom having the same conditions as the center atom exists in the chemical structure formula as the extraction object or not are provided. That is, the center atom searching part 2 receives information of the classification, the coupling state, etc., of the atom extracted by the center atom extracting part 1 and reads in the chemical structure formula from a chemical structure formula file 5 and searches an atom, which has the same classification, coupling state, etc., as the extracted atom, in the chemical structure formula as the extraction object read from the chemical structure formula file 5. Thus, fragment codes indicating several hundreds kinds of partial structure are quickly extracted.
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