{"metadata":{"_oai":{"id":"oai:ipsj.ixsq.nii.ac.jp:00236951","sets":["6504:11678:11684"]},"path":["11684"],"owner":"44499","recid":"236951","title":["天然物様化合物を生成する化学言語モデルの開発"],"pubdate":{"attribute_name":"公開日","attribute_value":"2024-03-01"},"_buckets":{"deposit":"1517ddcb-b7cb-410f-974e-417a6afbf186"},"_deposit":{"id":"236951","pid":{"type":"depid","value":"236951","revision_id":0},"owners":[44499],"status":"published","created_by":44499},"item_title":"天然物様化合物を生成する化学言語モデルの開発","author_link":["647875","647874","647876"],"item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"天然物様化合物を生成する化学言語モデルの開発"}]},"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":"2024-03-01","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":"東工大"},{"subitem_text_value":"東工大"},{"subitem_text_value":"東工大"}]},"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/236951/files/IPSJ-Z86-5ZJ-01.pdf","label":"IPSJ-Z86-5ZJ-01.pdf"},"date":[{"dateType":"Available","dateValue":"2024-07-04"}],"format":"application/pdf","filename":"IPSJ-Z86-5ZJ-01.pdf","filesize":[{"value":"449.3 kB"}],"mimetype":"application/pdf","accessrole":"open_date","version_id":"67dd8239-c57f-4e4b-9a3f-af7d9c8249f3","displaytype":"detail","licensetype":"license_note","license_note":"Copyright (c) 2024 by the Information Processing Society of Japan"}]},"item_22_creator_5":{"attribute_name":"著者名","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"坂野, 晃"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"古井, 海里"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"大上, 雅史"}],"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":"天然物は自然界で生物によって合成された化合物である。その活性の高さにより、昔から薬剤設計における候補化合物として見られてきた。また、近年では大量の分子データを自己教師あり学習によって学習した大規模な化学言語モデルが開発されており、それを下流のタスクに適用する研究も進んでいる。本研究では、事前学習した化学言語モデルを既知の天然物データでファインチューニングし、天然物に似た化合物を生成する言語モデルを構築した。このモデルによって薬剤候補となる化合物を効率的に生成する手法を提案する。","subitem_description_type":"Other"}]},"item_22_biblio_info_10":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicPageEnd":"682","bibliographic_titles":[{"bibliographic_title":"第86回全国大会講演論文集"}],"bibliographicPageStart":"681","bibliographicIssueDates":{"bibliographicIssueDate":"2024-03-01","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"1","bibliographicVolumeNumber":"2024"}]},"relation_version_is_last":true,"weko_creator_id":"44499"},"id":236951,"updated":"2025-01-19T09:03:28.411364+00:00","links":{},"created":"2025-01-19T01:39:17.984191+00:00"}