{"created":"2023-06-20T16:34:00.288184+00:00","id":3077,"links":{},"metadata":{"_buckets":{"deposit":"e33d934b-d9b3-4c34-8f24-0728f6630035"},"_deposit":{"created_by":3,"id":"3077","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"3077"},"status":"published"},"_oai":{"id":"oai:kindai.repo.nii.ac.jp:00003077","sets":["14:2667:2695:2699","21:2669:2697:2700"]},"author_link":["3364"],"item_8_alternative_title_3":{"attribute_name":"その他（別言語等）のタイトル","attribute_value_mlt":[{"subitem_alternative_title":"Development of COMBINE score function to improve accuracy of virtual screening"}]},"item_8_biblio_info_21":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2009-01-01","bibliographicIssueDateType":"Issued"},"bibliographicPageEnd":"4","bibliographicPageStart":"1","bibliographic_titles":[{"bibliographic_title":"科学研究費補助金研究成果報告書 (2009. )"}]}]},"item_8_description_33":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"本研究では、コンピュータを利用して高速に医薬品候補化合物を探索するバーチャルスクリーニングの高精度化のために、構造活性相関（QSAR）手法のひとつであるＣＯＭＢＩＮＥ法を評価関数として利用した。既知のターゲットを用いて検証した結果、一定の前処理が必要となるが、高活性の化合物を高速で見出すことが可能であり、同時にターゲットタンパク質への結合モードも精度よく予測できることを見出した。（英文） To improve accuracy of virtual screening in which candidate medical compounds were searched fast by computer, COMBINE method that is one of the Quantitative Structure-Activity Relationship (QSAR) was applied as the scoring function. As the results of several validations, active compounds were able to be extracted at high throughput. Furthermore, binding mode of the compounds to their target protein could be predicted at the same time.","subitem_description_type":"Abstract"}]},"item_8_description_36":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"研究種目：若手研究（スタートアップ）研究期間：2008～2010課題番号：20890261研究分野：医歯薬学科研費の分科・細目：薬学・物理系薬学","subitem_description_type":"Other"}]},"item_8_description_37":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"subitem_description":"Research Paper","subitem_description_type":"Other"}]},"item_8_description_41":{"attribute_name":"フォーマット","attribute_value_mlt":[{"subitem_description":"application/pdf","subitem_description_type":"Other"}]},"item_8_publisher_14":{"attribute_name":"出版者 名前","attribute_value_mlt":[{"subitem_publisher":"近畿大学"}]},"item_8_relation_11":{"attribute_name":"著者 外部リンク","attribute_value_mlt":[{"subitem_relation_name":[{"subitem_relation_name_text":"http://rns.nii.ac.jp/nr/1000010510109"}]}]},"item_8_text_10":{"attribute_name":"著者 役割","attribute_value_mlt":[{"subitem_text_value":"研究代表者"}]},"item_8_text_7":{"attribute_name":"著者(英)","attribute_value_mlt":[{"subitem_text_language":"en","subitem_text_value":"NAKAMURA, SHINYA"}]},"item_8_text_8":{"attribute_name":"著者 所属","attribute_value_mlt":[{"subitem_text_value":"近畿大学・薬学部・助手"}]},"item_8_version_type_12":{"attribute_name":"版","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_970fb48d4fbd8a85","subitem_version_type":"VoR"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"中村,  真也"},{"creatorName":"ナカムラ, シンヤ","creatorNameLang":"ja-Kana"}],"nameIdentifiers":[{"nameIdentifier":"3364","nameIdentifierScheme":"WEKO"},{"nameIdentifier":"10510109","nameIdentifierScheme":"研究者番号","nameIdentifierURI":" "}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2016-02-17"}],"displaytype":"detail","filename":"KAKEN_20890261seika.pdf","filesize":[{"value":"302.6 kB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"KAKEN_20890261seika.pdf","url":"https://kindai.repo.nii.ac.jp/record/3077/files/KAKEN_20890261seika.pdf"},"version_id":"0dd1d364-bfd6-42d0-9a5a-f777e863a0eb"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"構造活性相関","subitem_subject_scheme":"Other"},{"subitem_subject":"バーチャルスクリーニング","subitem_subject_scheme":"Other"},{"subitem_subject":"ＳＢＤＤ","subitem_subject_scheme":"Other"},{"subitem_subject":"ＩＴ創薬","subitem_subject_scheme":"Other"},{"subitem_subject":"計算化学","subitem_subject_scheme":"Other"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"jpn"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"research report","resourceuri":"http://purl.org/coar/resource_type/c_18ws"}]},"item_title":"バーチャルスクリーニングの高精度化へ向けたＣＯＭＢＩＮＥスコア関数の開発","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"バーチャルスクリーニングの高精度化へ向けたＣＯＭＢＩＮＥスコア関数の開発"}]},"item_type_id":"8","owner":"3","path":["2699","2700"],"pubdate":{"attribute_name":"公開日","attribute_value":"2010-07-06"},"publish_date":"2010-07-06","publish_status":"0","recid":"3077","relation_version_is_last":true,"title":["バーチャルスクリーニングの高精度化へ向けたＣＯＭＢＩＮＥスコア関数の開発"],"weko_creator_id":"3","weko_shared_id":-1},"updated":"2023-06-21T01:47:24.791327+00:00"}