"坂野晃,古井海里,大上雅史","化学言語モデルに基づく天然物様化合物生成",,"研究報告バイオ情報学（BIO）","情報処理学会","  2024-BIO-78","  14","  1-8",2024,June
"内河慶輔,古井海里,大上雅史","構造ベーススクリーニングに適したAlphaFoldタンパク質構造生成の最適化",,"研究報告バイオ情報学（BIO）","情報処理学会","  2024-BIO-78","  16","  1-7",2024,June
"坂野晃,古井海里,大上雅史","天然物様化合物を生成する化学言語モデルの開発","情報処理学会第86回全国大会",,,,,,2024,Mar.
"Masahito Ohue,Kairi Furui","FastLomap: Faster Lead Optimization Mapper Algorithm for Large- Scale Relative Free Energy Perturbation",,"The Journal of Supercomputing",,"Volume 80",,"page 14417-14432",2024,Mar.
"Kairi Furui,Masahito Ohue","Active learning for energy-based antibody optimization and enhanced screening",,,"arXiv preprint",,,,2024,
"Midori Arai,Yoshinori Makita,Shun Saito,Shiina Suzuki,Yuki Narushima,Nanoha Izawa,Yuki Tanaka,Kairi Furui,Masahito Ohue,Masami Ishibashi","The Indole Rocaglamide Induces S and G2/M Phase Cell Cycle Arrest in Small Cell Lung Cancer Cells Through ASCL1 Translation Inhibition",,,"SSRN preprint",,,,2024,
"Koh Sakano,Kairi Furui,Masahito Ohue","Natural Product-like Compound Generation with Chemical Language Models","30th International Conference on Parallel & Distributed Processing Techniques and Applications (PDPTA’24)","In Proceedings of The 30th International Conference on Parallel & Distributed Processing Techniques and Applications (PDPTA’24)","Springer Nature",,,,2024,
"Toshiki Ochiai,Tensei Inukai,Manato Akiyama,Kairi Furui,Masahito Ohue,Nobuaki Matsumori,Shinsuke Inuki,Motonari Uesugi,Toshiaki Sunazuka,Kazuya Kikuchi,Hideaki Kakeya,Yasubumi Sakakibara","Variational autoencoder-based chemical latent space for large molecular structures with 3D complexity",,"Communications Chemistry","nature","Vol. 6",,,2023,Nov.
"古井 海里,大上 雅史","Study of efficient perturbation map construction for large-scale free energy perturbation calculations","第61回日本生物物理学会年会",,,,,,2023,Nov.
"内河 慶輔,古井 海里,大上 雅史","ハ?ーチャルスクリーニンク?に適した AlphaFold2 タンハ?ク質立体構造モテ?ルの選択","第61回日本生物物理学会年会",,,,,,2023,Nov.
"Kusuri Murakumo,Naruki Yoshikawa,Kentaro Rikimaru,Shogo Nakamura,Kairi Furui,Takamasa Suzuki,Hiroyuki Yamasaki,Yuki Nishigaya,Yuzo Takagi,Masahito Ohue","LLM Drug Discovery Challenge: A Contest as a Feasibility Study on the Utilization of Large Language Models in Medicinal Chemistry","AI for Accelerated Materials Design (AI4Mat) NeurIPS 2023 Workshop","In Proceedings of AI for Accelerated Materials Design (AI4Mat) NeurIPS 2023 Workshop","Openview.net",,,"Page 8",2023,Oct.
"古井 海里,大上 雅史","Design of scalable perturbation maps for relative binding free energy calculations","CBI学会2023年大会",,,,,,2023,Oct.
"内河 慶輔,古井 海里,大上 雅史","Identifying suitable AlphaFold2 protein structure models for improved structure-based virtual screening","CBI学会2023年大会",,,,,,2023,Oct.
"Kairi Furui,Masahito Ohue","Faster Lead Optimization Mapper Algorithm for Large-Scale Relative Free Energy Perturbation","29th International Conference on Parallel & Distributed Processing Techniques and Applications (PDPTA’23)","In Proceedings of The 29th International Conference on Parallel & Distributed Processing Techniques and Applications (PDPTA’23)","IEEE",,,"page 2126-2132",2023,July
"内河慶輔,古井海里,大上雅史","バーチャルスクリーニングに適したAlphaFold2タンパク質立体構造モデルの 選択",,"研究報告バイオ情報学（BIO）","情報処理学会","  2023-BIO-74","  40","  1-7",2023,June
"古井海里,大上雅史","大規模自由エネルギー摂動法計算のための摂動マップ構築アルゴリズムの高速化",,"研究報告バイオ情報学（BIO）","情報処理学会","  2023-BIO-74","  39","  1-7",2023,June
"内河慶輔,古井海里,大上雅史.","バーチャルスクリーニングに適したAlphaFoldタンパク質立体構造モデルの選択","情報処理学会第85回全国大会",,,,,,2023,Mar.
"古井 海里,大上 雅史","2種類の言語モデルを用いたタンパク質-化合物相互作用予測手法の開発",,"研究報告バイオ情報学（BIO）","情報処理学会","  2023-BIO-73","  19","  1-3",2023,Mar.
"Keisuke Uchikawa,Kairi Furui,Masahito Ohue","Investigation of AlphaFold2 predictive structure generation method suitable for structure-based virtual screening","第6回Tokyo Bioinformatics Meeting",,,,,,2022,Oct.
"Kairi Furui,Masahito Ohue","Lead optimization through active learning using free energy perturbation","CBI学会2022年大会",,,,,,2022,Oct.
"Kairi Furui,Masahito Ohue","Compound virtual screening by learning-to-rank with gradient boosting decision tree and enrichment-based cumulative gain","第6回Tokyo Bioinformatics Meeting",,,,,,2022,Oct.
"Kairi Furui,Masahito Ohue","Evaluation of Compound Virtual Screening Performance Using Learning-to-Rank in Diverse Experimental Scenarios","IIBMP2022",,,,,,2022,Sept.
"Kairi Furui,Masahito Ohue","Compound virtual screening by learning-to-rank with gradient boosting decision tree and enrichment-based cumulative gain","19th IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology(IEEE CIBCB2022)","In Proceedings of The 19th IEEE International Conference on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB 2022)","IEEE",,,,2022,Aug.
"古井海里,大上雅史","多様な実験設定におけるランク学習を用いた化合物スクリーニングの性能評価",,"研究報告バイオ情報学（BIO）","情報処理学会","  2022-BIO-70","  49","  1-6",2022,June
"古井海里,大上雅史","ランク学習を用いた化合物スクリーニングにおける多様なアッセイデータの統合戦略","情報処理学会第84回全国大会",,,,,,2022,Mar.
"古井海里,大上雅史","ランク学習を用いた化合物スクリーニングにおける多様なアッセイデータの統合戦略","第26回オープンバイオ研究会",,,,,,2022,Mar.
"Kairi Furi,Masahito Ohue","Improvement of learning-to-rank for ligand-based virtual screening using gradient boosting technique with relevance refinement","第5回Tokyo Bioinformatics Meeting",,,,,,2021,Nov.
"Kairi Furi,Masahito Ohue","Improvement of learning-to-rank for ligand-based virtual screening using gradient boosting technique with relevance refinement","第10回生命医薬情報学連合大会（IIBMP2021）",,,,,,2021,Sept.
"大上雅史,古井海里","GBDTによる化合物の血液胎盤関門透過性予測",,"研究報告バイオ情報学（BIO)",,"Vol. 2021-BIO-65","No. 8","pp. 1-3",2021,Mar.