Analysis of the Reaction Classification and the EC number
| Accession number;04A0421128 |
| Title;Analysis of the Reaction Classification and the EC number |
| Author;KOTERA MASAAKI(Kyoto Univ., Inst. Chem. Res., JPN) |
Journal Title;Supakonpyuta Raboratori Heisei 15 Nendo Kenkyu Seika Hokokusho
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Journal Code:N20040949
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ISSN:
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VOL.;NO.;PAGE.79-81(2004)
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| Figure&Table&Reference;FIG.1, REF.1 |
| Pub. Country;Japan |
| Language;Japanese |
| Abstract;Though EC(Enzyme Commission) number is applied to various researches as a systematic enzyme protein classification, deciding the EC number takes labor and time very much. Here, the development of the technique which automatically allocated the EC number was tried using the structural comparison algorithm of substrate and product. To begin with, the molecular structure alignment was carried out using the enzyme reaction of about 5000 registered in the KEGG/REACTION database. For the atom which has changed between before and after of the reaction, the RC (Reaction Classification) number was defined. Then, after comparing the mutual relationship of the two hierarchies of the RC and the EC, the jack-knife test which estimated the EC number from the combination of the RC number was carried out. As a result, estimation to three digits of the EC number at 89.1% accuracy has been obtained in the test of the severest condition. And, it was able to estimate, even in the non-clarified reaction, at the accuracy of 66.0%. |
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