Compound virtual screening by learning-to-rank with gradient boosting decision tree and enrichment-based cumulative gain K Furui, M Ohue 2022 IEEE Conference on Computational Intelligence in Bioinformatics and …, 2022 | 5 | 2022 |
Variational autoencoder-based chemical latent space for large molecular structures with 3D complexity T Ochiai, T Inukai, M Akiyama, K Furui, M Ohue, N Matsumori, S Inuki, ... Communications Chemistry 6 (1), 249, 2023 | 3 | 2023 |
FastLomap: faster lead optimization mapper algorithm for large-scale relative free energy perturbation K Furui, M Ohue The Journal of Supercomputing, 1-16, 2024 | 1 | 2024 |
LLM Drug Discovery Challenge: A Contest as a Feasibility Study on the Utilization of Large Language Models in Medicinal Chemistry K Murakumo, N Yoshikawa, K Rikimaru, S Nakamura, K Furui, T Suzuki, ... AI for Accelerated Materials Design-NeurIPS 2023 Workshop, 2023 | 1 | 2023 |
Faster Lead Optimization Mapper Algorithm for Large-Scale Relative Free Energy Perturbation K Furui, M Ohue arXiv preprint arXiv:2304.04713, 2023 | 1 | 2023 |
時刻ドリフトの平均 2 乗誤差分析によるオンライン機器の識別技術 干川尚人, 古井海里, 白木厚司, 伊藤智義 電子情報通信学会論文誌 B 104 (10), 761-771, 2021 | 1 | 2021 |
GBDT による化合物の血液胎盤関門透過性予測 大上雅史, 古井海里 研究報告バイオ情報学 (BIO) 2021 (8), 1-3, 2021 | 1 | 2021 |
クロックフィンガープリントによるディジタル機器の識別における特徴量の統計的分析 古井海里, 干川尚人, 平田克己, 白木厚司, 下馬場朋禄, 伊藤智義 電子情報通信学会技術研究報告; 信学技報 119 (482), 41-46, 2020 | 1 | 2020 |
ディジタル機器のマイクロプロセッサ高負荷時における時刻ドリフトの研究 古井海里, 干川尚人, 白木厚司, 下馬場朋禄, 伊藤智義 第 82 回全国大会講演論文集 2020 (1), 167-168, 2020 | 1 | 2020 |
Deep generative model of constructing chemical latent space for large molecular structures with 3D complexity T Ochiai, T Inukai, M Akiyama, K Furui, M Ohue, N Matsumori, S Inuki, ... | | 2023 |
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 古井海里, 大上雅史 第 84 回全国大会講演論文集 2022 (1), 987-988, 2022 | | 2022 |
GBDT による化合物の血液胎盤関門透過性予測 M OUE, K FURUI 情報処理学会研究報告 (Web) 2021 (BIO-65), 2021 | | 2021 |
Statistical Analysis of Features in Identification of Digital Equipment by Clock Fingerprint K Furui, N Hoshikawa, K Hirata, A Shiraki, T Shimobaba, T Ito 電子情報通信学会技術研究報告 119 (482 (SC2019 35-51)(Web)), 41-46, 2020 | | 2020 |
The Indole Rocaglamide Induces S and G2/M Phase Cell Cycle Arrest in Small Cell Lung Cancer Cells Through ASCL1 Translation Inhibition M Arai, Y Makita, S Saito, S Suzuki, Y Narushima, N Izawa, Y Tanaka, ... Available at SSRN 4493242, 0 | | |
Compound Virtual Screening by Learning-to-Rank with Gradient Boosting Decision Tree and Enrichment-based Cumulative Gain | | |