@article{CTT100925853,
  author = {Masahito Ohue and Kairi Furui},
  title = {FastLomap: Faster Lead Optimization Mapper Algorithm for Large- Scale Relative Free Energy Perturbation},
  journal = {The Journal of Supercomputing},
  year = 2024,
}

@article{CTT100925860,
  author = {Toshiki Ochiai and Tensei Inukai and Manato Akiyama and Kairi Furui and Masahito Ohue and Nobuaki Matsumori and Shinsuke Inuki and Motonari Uesugi and Toshiaki Sunazuka and Kazuya Kikuchi and Hideaki Kakeya and Yasubumi Sakakibara},
  title = {Variational autoencoder-based chemical latent space for large molecular structures with 3D complexity},
  journal = {Communications Chemistry},
  year = 2023,
}

@inproceedings{CTT100925956,
  author = {坂野晃 and 古井海里 and 大上雅史},
  title = {化学言語モデルに基づく天然物様化合物生成},
  booktitle = {研究報告バイオ情報学（BIO）},
  year = 2024,
}

@inproceedings{CTT100925954,
  author = {内河慶輔 and 古井海里 and 大上雅史},
  title = {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},
  booktitle = {研究報告バイオ情報学（BIO）},
  year = 2024,
}

@inproceedings{CTT100925979,
  author = {坂野晃 and 古井海里 and 大上雅史},
  title = {天然物様化合物を生成する化学言語モデルの開発},
  booktitle = {},
  year = 2024,
}

@inproceedings{CTT100925886,
  author = {Koh Sakano and Kairi Furui and Masahito Ohue},
  title = {Natural Product-like Compound Generation with Chemical Language Models},
  booktitle = {In Proceedings of The 30th International Conference on Parallel & Distributed Processing Techniques and Applications (PDPTA’24)},
  year = 2024,
}

@inproceedings{CTT100925981,
  author = {古井 海里 and 大上 雅史},
  title = {Study of efficient perturbation map construction for large-scale free energy perturbation calculations},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100925982,
  author = {内河 慶輔 and 古井 海里 and 大上 雅史},
  title = {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},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100925890,
  author = {Kusuri Murakumo and Naruki Yoshikawa and Kentaro Rikimaru and Shogo Nakamura and Kairi Furui and Takamasa Suzuki and Hiroyuki Yamasaki and Yuki Nishigaya and Yuzo Takagi and Masahito Ohue},
  title = {LLM Drug Discovery Challenge: A Contest as a Feasibility Study on the Utilization of Large Language Models in Medicinal Chemistry},
  booktitle = {In Proceedings of AI for Accelerated Materials Design (AI4Mat) NeurIPS 2023 Workshop},
  year = 2023,
}

@inproceedings{CTT100925987,
  author = {古井 海里 and 大上 雅史},
  title = {Design of scalable perturbation maps for relative binding free energy calculations},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100925992,
  author = {内河 慶輔 and 古井 海里 and 大上 雅史},
  title = {Identifying suitable AlphaFold2 protein structure models for improved structure-based virtual screening},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100925933,
  author = {Kairi Furui and Masahito Ohue},
  title = {Faster Lead Optimization Mapper Algorithm for Large-Scale Relative Free Energy Perturbation},
  booktitle = {In Proceedings of The 29th International Conference on Parallel & Distributed Processing Techniques and Applications (PDPTA’23)},
  year = 2023,
}

@inproceedings{CTT100925960,
  author = {内河慶輔 and 古井海里 and 大上雅史},
  title = {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},
  booktitle = {研究報告バイオ情報学（BIO）},
  year = 2023,
}

@inproceedings{CTT100925959,
  author = {古井海里 and 大上雅史},
  title = {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},
  booktitle = {研究報告バイオ情報学（BIO）},
  year = 2023,
}

@inproceedings{CTT100895566,
  author = {内河慶輔 and 古井海里 and 大上雅史.},
  title = {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},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100895562,
  author = {古井 海里 and 大上 雅史},
  title = {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},
  booktitle = {研究報告バイオ情報学（BIO）},
  year = 2023,
}

@inproceedings{CTT100883620,
  author = {Keisuke Uchikawa and Kairi Furui and Masahito Ohue},
  title = {Investigation of AlphaFold2 predictive structure generation method suitable for structure-based virtual screening},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100883610,
  author = {Kairi Furui and Masahito Ohue},
  title = {Lead optimization through active learning using free energy perturbation},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100883615,
  author = {Kairi Furui and Masahito Ohue},
  title = {Compound virtual screening by learning-to-rank with gradient boosting decision tree and enrichment-based cumulative gain},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100883630,
  author = {Kairi Furui and Masahito Ohue},
  title = {Evaluation of Compound Virtual Screening Performance Using Learning-to-Rank in Diverse Experimental Scenarios},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100876237,
  author = {Kairi Furui and Masahito Ohue},
  title = {Compound virtual screening by learning-to-rank with gradient boosting decision tree and enrichment-based cumulative gain},
  booktitle = {In Proceedings of The 19th IEEE International Conference on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB 2022)},
  year = 2022,
}

@inproceedings{CTT100876271,
  author = {古井海里 and 大上雅史},
  title = {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},
  booktitle = {研究報告バイオ情報学（BIO）},
  year = 2022,
}

@inproceedings{CTT100876335,
  author = {古井海里 and 大上雅史},
  title = {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},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100876328,
  author = {古井海里 and 大上雅史},
  title = {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},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100876379,
  author = {Kairi Furi and Masahito Ohue},
  title = {Improvement of learning-to-rank for ligand-based virtual screening using gradient boosting technique with relevance refinement},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100876385,
  author = {Kairi Furi and Masahito Ohue},
  title = {Improvement of learning-to-rank for ligand-based virtual screening using gradient boosting technique with relevance refinement},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100851688,
  author = {大上雅史 and 古井海里},
  title = {GBDTによる化合物の血液胎盤関門透過性予測},
  booktitle = {研究報告バイオ情報学（BIO)},
  year = 2021,
}

@misc{CTT100926004,
  author = {Kairi Furui and Masahito Ohue},
  title = {Active learning for energy-based antibody optimization and enhanced screening},
  year = 2024,
}

@misc{CTT100926005,
  author = {Midori Arai and Yoshinori Makita and Shun Saito and Shiina Suzuki and Yuki Narushima and Nanoha Izawa and Yuki Tanaka and Kairi Furui and Masahito Ohue and Masami Ishibashi},
  title = {The Indole Rocaglamide Induces S and G2/M Phase Cell Cycle Arrest in Small Cell Lung Cancer Cells Through ASCL1 Translation Inhibition},
  year = 2024,
}