| 摘要 |
<P>PROBLEM TO BE SOLVED: To provide a method for searching a compound similar to a query compound, under a specific viewpoint/characteristic from a large-scale compound library. <P>SOLUTION: A system has a compound database 120 having a characteristic-partial structure associated information storage area 121 and a significance score and similarity score deriving function information storage area 122, an input/output terminal 150 being an input means of compound information to be searched, a database control mechanism 130 being a means for searching a similar compound by using a score in accordance with a characteristic, and an information control mechanism 110 being a means for displaying search results in similarity order to the query compound in accordance with the characteristic. The compound input from the input-output terminal 150 is searched as a key, and the results are displayed in similarity order in accordance with the characteristic. <P>COPYRIGHT: (C)2008,JPO&INPIT |
