日期 影响因子
日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:
–

Molecular Design with Artificial Intelligence: Progress and Perspectives for Small Molecules

人工智能在分子设计中的应用：小分子研究的进展与展望

期刊:Chemical Reviews
影响因子:55.8
doi:10.1021/acs.chemrev.5c00689
Sumita, Masato; Ishida, Shoichi; Yoshizoe, Kazuki; Tamura, Ryo; Terayama, Kei; Tsuda, Koji
发表日期：2026
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Data-Driven Design of PROTAC Linkers to Improve PROTAC Cell Membrane Permeability.

基于数据驱动的 PROTAC 连接子设计，以提高 PROTAC 细胞膜渗透性。

期刊:JACS Au
影响因子:8.7
doi:10.1021/jacsau.6c00033
Murakami Yuki, Ishida Shoichi, Cho Nobuo, Yuki Hitomi, Ohta Masateru, Honma Teruki, Demizu Yosuke, Terayama Kei
细胞生物学
发表日期：2026
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A data-driven generative strategy to avoid reward hacking in multi-objective molecular design

一种避免多目标分子设计中奖励操纵的数据驱动生成策略

期刊:Nature Communications
影响因子:15.7
doi:10.1038/s41467-025-57582-3
Yoshizawa, Tatsuya; Ishida, Shoichi; Sato, Tomohiro; Ohta, Masateru; Honma, Teruki; Terayama, Kei
发表日期：2025
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Large language models open new way of AI-assisted molecule design for chemists

大型语言模型为化学家们开辟了人工智能辅助分子设计的新途径

期刊:Journal of Cheminformatics
影响因子:5.7
doi:10.1186/s13321-025-00984-8
Ishida, Shoichi; Sato, Tomohiro; Honma, Teruki; Terayama, Kei
发表日期：2025
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GESim: ultrafast graph-based molecular similarity calculation via von Neumann graph entropy

GESim：基于冯·诺依曼图熵的超快速图分子相似性计算

期刊:Journal of Cheminformatics
影响因子:5.7
doi:10.1186/s13321-025-01003-6
Shiokawa, Hiroaki; Ishida, Shoichi; Terayama, Kei
发表日期：2025
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Precision spatiotemporal analysis of large-scale compound-protein interactions through molecular dynamics simulation

通过分子动力学模拟对大规模化合物-蛋白质相互作用进行精确的时空分析

期刊:PNAS Nexus
影响因子:3.8
doi:10.1093/pnasnexus/pgaf094
Matsumoto, Shigeyuki; Isaka, Yuta; Kanada, Ryo; Ma, Biao; Araki, Mitsugu; Chiba, Shuntaro; Tokuhisa, Atsushi; Iwata, Hiroaki; Ishida, Shoichi; Akinaga, Yoshinobu; Terayama, Kei; Kojima, Ryosuke; Harada, Yohei; Takemura, Kazuhiro; Honma, Teruki; Kitao, Akio; Okuno, Yasushi
发表日期：2025
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Visualizing fatigue mechanisms in non-communicable diseases: an integrative approach with multi-omics and machine learning.

可视化非传染性疾病中的疲劳机制：多组学和机器学习的综合方法

期刊:BMC Medical Informatics and Decision Making
影响因子:3.8
doi:10.1186/s12911-025-03034-3
Kobayashi Yusuke, Fujiwara Naoki, Murakami Yuki, Ishida Shoichi, Kinguchi Sho, Haze Tatsuya, Azushima Kengo, Fujiwara Akira, Wakui Hiromichi, Sakakura Masayoshi, Terayama Kei, Hirawa Nobuhito, Isozaki Tetsuo, Yasuzaki Hiroaki, Takase Hajime, Yano Yuichiro, Tamura Kouichi
发表日期：2025
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Theoretical and data-driven approaches to semiconductors and dielectrics: from prediction to experiment

半导体和介电材料的理论和数据驱动方法：从预测到实验

期刊:Science and Technology of Advanced Materials
影响因子:6.9
doi:10.1080/14686996.2024.2423600
Oba, Fumiyasu; Nagai, Takayuki; Katsube, Ryoji; Mochizuki, Yasuhide; Tsuji, Masatake; Deffrennes, Guillaume; Hanzawa, Kota; Nakano, Akitoshi; Takahashi, Akira; Terayama, Kei; Tamura, Ryo; Hiramatsu, Hidenori; Nose, Yoshitaro; Taniguchi, Hiroki
发表日期：2024
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Development of a method for estimating asari clam distribution by combining three-dimensional acoustic coring system and deep neural network

结合三维声学取芯系统和深度神经网络，开发了一种估算蛤蜊分布的方法

期刊:Scientific Reports
影响因子:3.9
doi:10.1038/s41598-024-77893-7
Kadoi, Tokimu; Mizuno, Katsunori; Ishida, Shoichi; Onozato, Shogo; Washiyama, Hirofumi; Uehara, Yohei; Saito, Yoshimoto; Okamoto, Kazutoshi; Sakamoto, Shingo; Sugimoto, Yusuke; Terayama, Kei
发表日期：2024
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Performance of uncertainty-based active learning for efficient approximation of black-box functions in materials science

基于不确定性的主动学习在材料科学中高效逼近黑箱函数的性能

期刊:Scientific Reports
影响因子:3.9
doi:10.1038/s41598-024-76800-4
Koizumi, Ai; Deffrennes, Guillaume; Terayama, Kei; Tamura, Ryo
发表日期：2024
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