{"metadata":{"_oai":{"id":"oai:ipsj.ixsq.nii.ac.jp:00191038","sets":["1164:2592:9368:9546"]},"path":["9546"],"owner":"11","recid":"191038","title":["化学反応経路ネットワークにおけるZDDを用いたエネルギー制限付き経路列挙"],"pubdate":{"attribute_name":"公開日","attribute_value":"2018-08-27"},"_buckets":{"deposit":"4991e9a2-a214-46bb-81cb-7557459407cb"},"_deposit":{"id":"191038","pid":{"type":"depid","value":"191038","revision_id":0},"owners":[11],"status":"published","created_by":11},"item_title":"化学反応経路ネットワークにおけるZDDを用いたエネルギー制限付き経路列挙","author_link":["439011","439014","439012","439013","439016","439007","439008","439009","439015","439010"],"item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"化学反応経路ネットワークにおけるZDDを用いたエネルギー制限付き経路列挙"}]},"item_type_id":"4","publish_date":"2018-08-27","item_4_text_3":{"attribute_name":"著者所属","attribute_value_mlt":[{"subitem_text_value":"北海道大学大学院情報科学研究科"},{"subitem_text_value":"北海道大学工学部"},{"subitem_text_value":"北海道大学大学院理学研究院"},{"subitem_text_value":"京都大学大学院情報学研究科"},{"subitem_text_value":"北海道大学大学院理学研究院"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"jpn"}]},"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/191038/files/IPSJ-AL18169007.pdf","label":"IPSJ-AL18169007.pdf"},"date":[{"dateType":"Available","dateValue":"2020-08-27"}],"format":"application/pdf","billing":["billing_file"],"filename":"IPSJ-AL18169007.pdf","filesize":[{"value":"2.1 MB"}],"mimetype":"application/pdf","priceinfo":[{"tax":["include_tax"],"price":"660","billingrole":"5"},{"tax":["include_tax"],"price":"330","billingrole":"6"},{"tax":["include_tax"],"price":"0","billingrole":"9"},{"tax":["include_tax"],"price":"0","billingrole":"44"}],"accessrole":"open_date","version_id":"29b79220-3c0b-4fac-b745-033dfd6c9765","displaytype":"detail","licensetype":"license_note","license_note":"Copyright (c) 2018 by the Information Processing Society of Japan"}]},"item_4_creator_5":{"attribute_name":"著者名","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"鈴木, 浩史"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"中野, 裕太"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"住谷, 陽輔"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"湊, 真一"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"前田, 理"}],"nameIdentifiers":[{}]}]},"item_4_creator_6":{"attribute_name":"著者名(英)","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Hirofumi, Suzuki","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Yuta, Nakano","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Yosuke, Sumiya","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Shin-ichi, Minato","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Satoshi, Maeda","creatorNameLang":"en"}],"nameIdentifiers":[{}]}]},"item_4_source_id_9":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AN1009593X","subitem_source_identifier_type":"NCID"}]},"item_4_textarea_12":{"attribute_name":"Notice","attribute_value_mlt":[{"subitem_textarea_value":"SIG Technical Reports are nonrefereed and hence may later appear in any journals, conferences, symposia, etc."}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourceuri":"http://purl.org/coar/resource_type/c_18gh","resourcetype":"technical report"}]},"item_4_source_id_11":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"2188-8566","subitem_source_identifier_type":"ISSN"}]},"item_4_description_7":{"attribute_name":"論文抄録","attribute_value_mlt":[{"subitem_description":"化合物にはひとつの組成に対して様々な分子構造が存在し，それぞれで異なる性質を有する．化学反応における反応経路ネットワークとは，分子構造を頂点とし，遷移可能な分子構造の間に辺を引いたグラフ構造を指す．反応経路ネットワークの解析は，反応設計に携わる化学者の助けとなる重要なタスクである．本稿では，分子構造間の遷移に必要なエネルギーに着目し，エネルギーを制限した反応経路ネットワークの上で，特定の分子構造を始点とする単純経路を列挙する．ただし，経路の総数は組合せ爆発を起こすため，明示的な列挙は避けなければならない．そこで，SIMPATH アルゴリズムにより，暗黙的に全経路を格納したゼロサプレス型二分決定グラフ (ZDD) という圧縮データ構造を構築する．さらに，ZDD が持つ効率的な絞込み機能を応用することで，エネルギーの上限に対する可能な経路の抽出を行う．","subitem_description_type":"Other"}]},"item_4_biblio_info_10":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicPageEnd":"6","bibliographic_titles":[{"bibliographic_title":"研究報告アルゴリズム（AL）"}],"bibliographicPageStart":"1","bibliographicIssueDates":{"bibliographicIssueDate":"2018-08-27","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"7","bibliographicVolumeNumber":"2018-AL-169"}]},"relation_version_is_last":true,"weko_creator_id":"11"},"updated":"2025-01-20T00:58:11.828655+00:00","created":"2025-01-19T00:56:57.493395+00:00","links":{},"id":191038}