| Presentation | 2003/3/7 Correlation Analysis of 3-dimensional Chemical Structure and its Activity by AGM Yoshio NISHIMURA, Takashi WASHIO, Tetsuya YOSHIDA, Hiroshi MOTODA, Akihiro INOKUCHI, Takashi OKADA, |
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| PDF Download Page | PDF download Page Link |
| Abstract(in Japanese) | (See Japanese page) |
| Abstract(in English) | Apriori-based Graph Mining (AGM) algorithm efficiently extracts all the subgraph patterns which frequently appear in graph structured data. The algorithms can deal with general graph structured data with multiple labels of vartices and edges, and is capable of analyzing the connective structure of graphs. We have proposed a faster algorithm of AGM by adding an extra constraint to reduce the number of generated candidates for seeking frequent subgraphs. In this paper, we propose a new method to analyze graph structured data which are represented with a 3-dimensional coordinate by AGM. In this method the distance between each vertex of a graph is calculated and added to the edge label in pre-processing so that AGM can handle 3-dimensional graph structured data. Chemical compounds with dopamine antagonist in MDDR database were analyzed by AGM to analyze their 3-dimensional chemical structure and correlation with physiological activity. |
| Keyword(in Japanese) | (See Japanese page) |
| Keyword(in English) | Graph Structured Data / Apriori Algorithm / 3-Dimensional Structure / Physiological Activity / Chemistry |
| Paper # | AI2002-78 |
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| Conference Information | |
| Committee | AI |
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| Conference Date | 2003/3/7(1days) |
| Place (in Japanese) | (See Japanese page) |
| Place (in English) | |
| Topics (in Japanese) | (See Japanese page) |
| Topics (in English) | |
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| Paper Information | |
| Registration To | Artificial Intelligence and Knowledge-Based Processing (AI) |
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| Language | JPN |
| Title (in Japanese) | (See Japanese page) |
| Sub Title (in Japanese) | (See Japanese page) |
| Title (in English) | Correlation Analysis of 3-dimensional Chemical Structure and its Activity by AGM |
| Sub Title (in English) | |
| Keyword(1) | Graph Structured Data |
| Keyword(2) | Apriori Algorithm |
| Keyword(3) | 3-Dimensional Structure |
| Keyword(4) | Physiological Activity |
| Keyword(5) | Chemistry |
| 1st Author's Name | Yoshio NISHIMURA |
| 1st Author's Affiliation | Institute of Scientific and Industrial Research, Osaka University() |
| 2nd Author's Name | Takashi WASHIO |
| 2nd Author's Affiliation | Institute of Scientific and Industrial Research, Osaka University |
| 3rd Author's Name | Tetsuya YOSHIDA |
| 3rd Author's Affiliation | Institute of Scientific and Industrial Research, Osaka University |
| 4th Author's Name | Hiroshi MOTODA |
| 4th Author's Affiliation | Institute of Scientific and Industrial Research, Osaka University |
| 5th Author's Name | Akihiro INOKUCHI |
| 5th Author's Affiliation | Tokyo Research Laboratory, IBM Japan |
| 6th Author's Name | Takashi OKADA |
| 6th Author's Affiliation | Kwansei Gakuin University, Center for Information & Media Studies |
| Date | 2003/3/7 |
| Paper # | AI2002-78 |
| Volume (vol) | vol.102 |
| Number (no) | 710 |
| Page | pp.pp.- |
| #Pages | 5 |
| Date of Issue | |