{"updated":"2025-01-22T03:47:07.089637+00:00","metadata":{"_oai":{"id":"oai:ipsj.ixsq.nii.ac.jp:00058993","sets":["1164:5352:5358:5362"]},"path":["5362"],"owner":"1","recid":"58993","title":["ドッキングシミュレーションにおける試行錯誤的なパラメータ調整支援システム"],"pubdate":{"attribute_name":"公開日","attribute_value":"2007-03-05"},"_buckets":{"deposit":"9de54b4b-4ab8-4a29-b60b-16bf34a6a6f8"},"_deposit":{"id":"58993","pid":{"type":"depid","value":"58993","revision_id":0},"owners":[1],"status":"published","created_by":1},"item_title":"ドッキングシミュレーションにおける試行錯誤的なパラメータ調整支援システム","author_link":["0","0"],"item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"ドッキングシミュレーションにおける試行錯誤的なパラメータ調整支援システム"},{"subitem_title":"A System Assisting Trial-and-Error Parameter Tuning for Docking Simulation","subitem_title_language":"en"}]},"item_type_id":"4","publish_date":"2007-03-05","item_4_text_3":{"attribute_name":"著者所属","attribute_value_mlt":[{"subitem_text_value":"大阪大学大学院情報科学研究科"},{"subitem_text_value":"大阪大学大学院情報科学研究科"},{"subitem_text_value":"大阪大学大学院情報科学研究科／三井情報開発株式会社"},{"subitem_text_value":"大阪大学サイバーメディアセンター"}]},"item_4_text_4":{"attribute_name":"著者所属(英)","attribute_value_mlt":[{"subitem_text_value":"Graduate School of Information Science and Technology, Osaka University","subitem_text_language":"en"},{"subitem_text_value":"Graduate School of Information Science and Technology, Osaka University","subitem_text_language":"en"},{"subitem_text_value":"Graduate School of Information Science and Technology / Osaka University,Mitsui Knowledge Industry Co., Ltd","subitem_text_language":"en"},{"subitem_text_value":"Cybermedia Center, Osaka University","subitem_text_language":"en"}]},"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/58993/files/IPSJ-BIO07008009.pdf"},"date":[{"dateType":"Available","dateValue":"2009-03-05"}],"format":"application/pdf","billing":["billing_file"],"filename":"IPSJ-BIO07008009.pdf","filesize":[{"value":"757.2 kB"}],"mimetype":"application/pdf","priceinfo":[{"tax":["include_tax"],"price":"660","billingrole":"5"},{"tax":["include_tax"],"price":"330","billingrole":"6"},{"tax":["include_tax"],"price":"0","billingrole":"41"},{"tax":["include_tax"],"price":"0","billingrole":"44"}],"accessrole":"open_date","version_id":"004ed1d7-68e5-41e1-9791-1b5814d345e4","displaytype":"detail","licensetype":"license_note","license_note":"Copyright (c) 2007 by the Information Processing Society of Japan"}]},"item_4_creator_5":{"attribute_name":"著者名","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"前野, 隆史"},{"creatorName":"伊達, 進"},{"creatorName":"水戸, 善之"},{"creatorName":"下條, 真司"}],"nameIdentifiers":[{}]}]},"item_4_creator_6":{"attribute_name":"著者名(英)","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"TAKASHI, MAENO","creatorNameLang":"en"},{"creatorName":"SUSUMU, DATE","creatorNameLang":"en"},{"creatorName":"YOSHIYUKI, KlDO","creatorNameLang":"en"},{"creatorName":"Shinji, Shimojo","creatorNameLang":"en"}],"nameIdentifiers":[{}]}]},"item_4_source_id_9":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AA12055912","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_description_7":{"attribute_name":"論文抄録","attribute_value_mlt":[{"subitem_description":"今日，計算機を利用した薬物候補化合物のスクリーニングに関する期待と関心が高まっている．スクリーニングで利用されるドッキングシミュレーションでは，パラメータ数の多さや関連するツール間の依存によって，パラメータ調整が複雑になっている現状がある．そのため研究者は，複数のツールを用いたパラメータ調整を試行錯誤的に行わなければならない現状がある．本稿では，ツール・パラメータの選定・設定を柔軟な階層構造で表現できる「試行セット」と呼ばれるモデルを表現したデータ構造を用いて，ツール実行を効率よく実施するための支援システムを提案する．本システムによりドッキングシミュレーションを利用したスクリーニング全体の効率性の向上が見込まれる．","subitem_description_type":"Other"}]},"item_4_description_8":{"attribute_name":"論文抄録(英)","attribute_value_mlt":[{"subitem_description":"Molecular docking simulation is a promising application for drug design. Although docking simulation and the related information technology have advanced in recent years, scientists still have difficulty in finding a suitable parameter set of docking programs because parameter-tuning step contains the scientists' trial-and-error processes. We define \"trial set\" model that can flexibly describe tools' flow and a way of parameter tuning for that tools. In this paper, we propose a system that can perform procedures described in a trial set to assist scientists' trial-and-error in parameter tuning. This system has potential to improve the whole process of in-silico screening. ","subitem_description_type":"Other"}]},"item_4_biblio_info_10":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicPageEnd":"70","bibliographic_titles":[{"bibliographic_title":"情報処理学会研究報告バイオ情報学（BIO）"}],"bibliographicPageStart":"63","bibliographicIssueDates":{"bibliographicIssueDate":"2007-03-05","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"21(2007-BIO-008)","bibliographicVolumeNumber":"2007"}]},"relation_version_is_last":true,"weko_creator_id":"1"},"created":"2025-01-18T23:21:51.447094+00:00","id":58993,"links":{}}