{"links":{},"metadata":{"_oai":{"id":"oai:ipsj.ixsq.nii.ac.jp:00221938","sets":["6504:11035:11039"]},"path":["11039"],"owner":"44499","recid":"221938","title":["タンパク質立体構造の木表現とGCNに基づくEC番号の推定"],"pubdate":{"attribute_name":"公開日","attribute_value":"2022-02-17"},"_buckets":{"deposit":"15ac8d40-ffd9-4e46-a873-513070e7570c"},"_deposit":{"id":"221938","pid":{"type":"depid","value":"221938","revision_id":0},"owners":[44499],"status":"published","created_by":44499},"item_title":"タンパク質立体構造の木表現とGCNに基づくEC番号の推定","author_link":["581294","581293"],"item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"タンパク質立体構造の木表現とGCNに基づくEC番号の推定"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"コンピュータと人間社会","subitem_subject_scheme":"Other"}]},"item_type_id":"22","publish_date":"2022-02-17","item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"jpn"}]},"item_22_text_3":{"attribute_name":"著者所属","attribute_value_mlt":[{"subitem_text_value":"東京薬科大"},{"subitem_text_value":"東京薬科大"}]},"item_publisher":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"情報処理学会","subitem_publisher_language":"ja"}]},"publish_status":"0","weko_shared_id":-1,"item_file_price":{"attribute_name":"Billing file","attribute_type":"file","attribute_value_mlt":[{"url":{"url":"https://ipsj.ixsq.nii.ac.jp/record/221938/files/IPSJ-Z84-1ZM-01.pdf","label":"IPSJ-Z84-1ZM-01.pdf"},"date":[{"dateType":"Available","dateValue":"2022-10-22"}],"format":"application/pdf","filename":"IPSJ-Z84-1ZM-01.pdf","filesize":[{"value":"254.8 kB"}],"mimetype":"application/pdf","accessrole":"open_date","version_id":"b70008b0-d052-43ca-a675-7c9f0efd47bb","displaytype":"detail","licensetype":"license_note","license_note":"Copyright (c) 2022 by the Information Processing Society of Japan"}]},"item_22_creator_5":{"attribute_name":"著者名","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"青柳, 詠美"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"小島, 正樹"}],"nameIdentifiers":[{}]}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourceuri":"http://purl.org/coar/resource_type/c_5794","resourcetype":"conference paper"}]},"item_22_source_id_9":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AN00349328","subitem_source_identifier_type":"NCID"}]},"item_22_description_7":{"attribute_name":"論文抄録","attribute_value_mlt":[{"subitem_description":"当研究室で開発しているVOLTESは、タンパク質の立体構造を、系の自由度に等しい二面角座標を用いて、分子のトポロジーを反映した木構造で表現し、かつデータを6値化することにより、探索対象の構造空間を離散化している。リストの入れ子として実装したアルゴリズムを用いて、これまでタンパク質の論理的構造設計（2019）や分子進化とトポロジーとの相関解析（2020）に用いてきた。本研究ではVOLTESグラフ構造を特徴量としたグラフ畳み込みニューラルネットワーク（GCN）を用いて、立体構造から反応経路を考慮せずにEC番号を推定し、VOLTESにおけるAIの利用可能性を評価した。","subitem_description_type":"Other"}]},"item_22_biblio_info_10":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicPageEnd":"970","bibliographic_titles":[{"bibliographic_title":"第84回全国大会講演論文集"}],"bibliographicPageStart":"969","bibliographicIssueDates":{"bibliographicIssueDate":"2022-02-17","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"1","bibliographicVolumeNumber":"2022"}]},"relation_version_is_last":true,"weko_creator_id":"44499"},"created":"2025-01-19T01:21:55.191418+00:00","updated":"2025-01-19T13:57:08.319393+00:00","id":221938}