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

Tuberculosis Drug Discovery in the Age of Artificial Intelligence

人工智能时代的结核病药物研发

Ekins, Sean; Lane, Thomas R; Wong, Jason T

Enhanced Antiviral Activity of Novel Umifenovir Derivatives against SARS-CoV-2: Insights from an International Collaborative Study

新型乌米芬韦衍生物对SARS-CoV-2的抗病毒活性增强:一项国际合作研究的启示

Mottin, Melina; Jurisch, Christopher D; Silva-Mendonça, Sabrina; Seanego, Donald; Ramos, Paulo R P da Silva; Freitas, Caroline S; Mattos, Mayara; Fintelman-Rodrigues, Natalia; Sacramento, Carolina Q; Guivel-Benhassine, Florence; Bruel, Timothée; Krugmann, Liezl; Puhl, Ana C; Urbina, Fabio; Lane, Thomas R; Merten, Eric M; Pearce, Kenneth H; Lepioshkin, Alexander; Poromov, Artem; Monakhova, Natalia; Schwartz, Olivier; Chibale, Kelly; Souza, Thiago M L; Ekins, Sean; Makarov, Vadim; Gessner, Richard K; Andrade, Carolina H

Machine learning modeling of zebrafish toxicity endpoints after exposure to PROTACs

利用机器学习模型研究斑马鱼暴露于PROTACs后的毒性终点

Yogodzinski, Christopher; Harris, Joshua S; Lane, Thomas R; Barnes, Morgan; Vignaux, Patricia A; Raman, Renuka; Truong, Lisa; Tanguy, Robyn L; Kullman, Seth W; Ekins, Sean

Deciphering the Anti-LUAD Mechanism of 4′-Demethyl-epipodophyllotoxin (4′-DMEP) via Machine Learning-Driven Target Identification and In Vitro Validation

利用机器学习驱动的靶点识别和体外验证,揭示4′-去甲基表鬼臼毒素(4′-DMEP)的抗肺腺癌机制

Lu, Jingwei; Aggarwal, Reeva; Pompili, Vincent J; Das, Hiranmoy; Chang, Wei; Yu, Jingjing; Di Palma, Roberto; Falco, Luigi; Coccia, Armando; Amitrano, Federica; D'Addio, Giovanni; La Rovere, Maria Teresa; Zhang, Yifang; Bao, Cuiping; Liu, Lingling; Liu, Renjiao; Wang, Xincheng; Guo, Xiaoxuan; Li, Chunjun; Wan, Qiliang; Ding, Yi; Liu, Wenduo; Yang, Kun; Zhang, Yue; Bu, Yifan; Song, Mingrong; Hao, Zhihua; Chen, Jing; Ouro, Alberto; Ben-Dor, Gabriel A; Debasa-Mouce, Manuel; Gulkarov, Shelly; De Leon, Joshua; Castro-Mosquera, Mónica; Sobrino, Tomás; Bougea, Anastasia; Reiss, Allison B; Szőke, Henrik; Vagedes, Jan; Balogh, Anikó; Li, Shengnian; Yin, Yikun; Guan, Jingjun; Yu, Liang; Jin, Shihao; Hu, Haotian; Wang, Xue; Wei, Xuan; Wang, Changjie; Ding, Peisen; Fan, Pengfei; Gao, Sinan; Dou, Xiaojing; Wang, Bing; Ma, Haoran; Yan, Mengwen; Liu, Jun; Zhu, Chen; Soria-Fregozo, Cesar; Ramos de Robles, Silvia Lizette; Flores-Soto, Mario Eduardo; Rosas-Sánchez, Gilberto Uriel; Zhao, Yannan; Deng, Bei; Li, Xiang; Zhang, Sheng; Chen, Yuhang; Peng, Dezhong; Sun, Ning; He, Yi; Liu, Yi-Wei; Chen, Gang-Lin; Chen, Lei; Yang, Hui-Lin; Lu, Jing-Kang; Xiong, Jing; Xiong, Xiao-Yi; He, Cheng-Qi; Barnett, Carlton C; Oliver, Gavin R; Schoenberg, Michael Rutenberg; Smith, Hans P; Smythe, W Roy; Zhang, Lei; Lu, Hao; Zhou, Hao; Bigjahan, Bavrina; Cavallari, Michele; Barisano, Giuseppe; Lange, Martin; Martinasek, Mary; Heckert, Nadine; Duan, Tingting; Zou, Changwei; Yang, Ming; Xu, Jiangxingzi; Wu, Zhaoping; Ullah, Sayyed Aqib; Jabeen, Hafsa; Javed, Areeba; Manan, Abdul; Irshad, Nadeem; Khan, Kashif Maqbool; Khushal, Aneela; Khan, Sara; Farooq, Umar; Bashir, Kashif; Saeed, Aamer; Cole, Paige L; Stead, Connor A; Burniston, Jatin G; Owens, Daniel J; Karnati, Bharath V; Kumar Behera, Pradip; Tripathy, Krishna P; Karanam, Rama Sowmya; Priyadarshini, Aparajita; Das, Swati; Mishra, Subhashree; Treiber, Kyle; Svensson, Robert; Cui, Zhong-lei; Zhang, Wen-hao; Wang, Wei; Han, Shan-shan; Zhu, Sai; Xu, Chuan-yi; Huang, Hua-sheng; Luo, Rong-hai; Pinky, Humayra Afroz; Nishan, MD Nahid Hassan; Alam, Gazi Md Ehsanul; Pathak, Ranjana; Goel, Anjana; Mukherjee, Archana; Patil, Deepali; Zope, Mukesh Kumar; Raj, Rishi; Devi, Seema; Bufacchi, Antonella; Pasciuti, Katia; Tesfaye, Melaku; Baheretibeb, Yonas; Dinku, Tsimona; Mihretu, Awoke; Li, Jie; Wang, Qiao-Yan; Xu, Xin; Cui, Lili; Zhang, Yong; Gu, Jingkai; Behboodi, Hamid-Reza; Asghari-Moghadam, Morteza; Mehri, Mehran; Hamza Ilyas, Muhammad; Daher, Mohammad; Deshpande, Viraj; Lindsay, Adam; Abboud, Joseph A; Kassam, Hafiz F; Yang, Runyu; Feng, Hui; Zhang, Mengyao; Liu, Yi; Luo, Minna; Liu, Ruimin; Wang, Kaiyao; Li, Qijing; Wang, Wenjuan; Chen, Jing; Du, Yue; Xiao, Jiayi; Yang, Bingyu; Niu, Fan; He, Pengcheng; Takahashi, Momo; Tamura, Yuma; Tamiya, Hajime; Terashima, Masato; Takahashi, Harunori; Banba, Nobuyuki; Nakatani, Yuki; Otani, Naoyuki; Ueno, Asuka; Yasu, Takanori; Maejima, Yasuhiro; Liu, Xin; Woo, Sukyung; Elemosho, Abdulaziz; Malekzadeh, Hamid; Kluemper, Jude C; Janis, Jeffrey E; Li, Yanxian; Sang, Jun; Li, Xuemei; Ding, Wenjing; Yang, Chunyan; Yang, Zheng; Zhao, Shiping; Liu, Yanfang; Cardoso, Barbara R; Steele, Euridice Martinez; Brayner, Barbara; Yuan, Xinyi; Bransby, Lisa; Cummins, Hannah; Lim, Yen Ying; Machado, Priscila; Liu, Qiang; Liu, Cui; Qin, Xin; Baba, Ainain; Baba, Obair Yousuf; Ahmad, Abid; Shahid, Misbah; Cho, Hyo-Moon; Le, Minh-Thi-Tuyet; Shin, Ji-Hye; Mai, Van-Hieu; Choi, Seri; An, Jin-Pyo; Lee, Yun-Sil; Oh, Won-Keun; Feng, Fang; Choi, Jihye; Ahn, Dohyun; Truong, Thi My Tien; Yim, Kyung June; Kim, Hyun-Jin; Jung, Man-Young; Lee, Hae-Won; Kim, Dong-Shin; Kang, Inhae; Zhao, Yi; Ai, Wei; Zhao, Jieyu; Yang, Xi; Liu, Wencheng; Ma, Yaru; Mou, Jianrui; Hai, Ao; Ji, Ran; Gan, Yu; Miao, Zhuang; Hu, Shilong; Huang, Zhenbo; Liu, Jin; Liu, Xianggen; Yang, Jun; Ke, Bowen; Khatib, Hasan; Ellsworth, Elijah; Badhwar, Norisha; Zuñiga-Eulogio, Miriam; Quinteros, Michael; Hernández-Moreno, Alberto; Hernández-Moreno, Tadeo; Sharma, Tapan; Olea-Flores, Monserrat; Ordóñez, Mario; Coste-Sanchez, Carla; Padilla-Benavides, Teresita; Navarro-Tito, Napoleón; Lohawittayanan, Duangporn; Khulmanee, Tachin; Thima, Kanthinich; Chabang, Napason; Yenjai, Wanchalerm; Kanjanasirirat, Phongthon; Schlaeppi, Patrick; Tantivess, Varisa; Phumisithikul, Tanadej; Ratcha-in, Detchart; Chotsriluecha, Sanisorn; Chuchaisuwannasri, Dhanita; Phanchana, Matthew; Pinthong, Nattapon; Patrapuvich, Rapatbhorn; Charoensutthivarakul, Sitthivut; Haakonde, Richard; Zyambo, Golden; Changula, Katendi; Mwenechanya, Roy; Muzandu, Kaampwe Mayovu; Mondal, Kalyan; Mandal, Abhijit; Vijay, Anuj; Patel, Ganeshkumar; Gong, Shan; Liu, Yeqian; Chen, Chunming; Feng, Min; Yang, Meiqi; Ren, Weiqiong; Wang, Min; Zhao, Shaojie; Yuan, Hua; Zhao, Min; Hang, Chen; Yuan, Rong; Canal de Velasco, Luis M; González Flores, José Emiliano; Kraus Fischer, Gabriel; Morales Arteaga, Jose Luis; Olivares Casas, María J; Alvarez Nava, Kenia N; Morales Morales, Frida M; Zhao, Tian-Pei; Chen, Jing-Yu; Li, Yue-Hua; Zhang, Chen-Xia; Ma, Yu-Xiang; Qin, Zhao; Wang, Xue-De; Liu, Hua-Min; Cui, Rui-Fu; Wang, Lei; Xu, Yong-Jun; Shi, Hai-Ming; Iizuka, Yusuke; Kosaka, Takuya; Kishi, Takahiro; Mitsuoka, Hiroshi; Yamaguchi, Yuki; Hoshino, Akihiro; Masuda, Hidemichi; Zhou, Xuchang; Wang, Dongxue; Deng, Huili; Guo, Jianmin; Chen, Xier; Lin, Zhangyu; Liu, Baolong; Zhao, Ruobing; Gao, Lu; Yin, Xuan; Zhang, Yun; Chen, Yan; Yang, Yajing; Li, Qingxian; Shen, Qu; Ji, Jianguang; Ni, Guoxin; Abikar, Apoorva; Ranganathan, Prathibha; Mottin, Melina; Jurisch, Christopher D; Silva-Mendonça, Sabrina; Seanego, Donald; Ramos, Paulo R P da Silva; Freitas, Caroline S; Mattos, Mayara; Fintelman-Rodrigues, Natalia; Sacramento, Carolina Q; Guivel-Benhassine, Florence; Bruel, Timothée; Krugmann, Liezl; Puhl, Ana C; Urbina, Fabio; Lane, Thomas R; Merten, Eric M; Pearce, Kenneth H; Lepioshkin, Alexander; Poromov, Artem; Monakhova, Natalia; Schwartz, Olivier; Chibale, Kelly; Souza, Thiago M L; Ekins, Sean; Makarov, Vadim; Gessner, Richard K; Andrade, Carolina H; Liang, Hui; Huang, Qinhong; Xian, Mingming; Chen, Taoliang; Sun, Xinlin; Binorkar, Sandeep V; Sawant, Ranjeet; Ukey, Rashtrapal N; Bhat, Ravindra; Monteblanco, Carlo D; Sy Su, Karl Matthew C; Jose, Geraldine Raphaela B; Yao, Jinghui; Wang, Chenhao; Wang, Zhichao; Xiang, Shi; Sun, Wu; Chen, Hui; Yang, Chao

Machine Learning and Large Language Models for Modeling Complex Toxicity Pathways and Predicting Steroidogenesis

利用机器学习和大型语言模型对复杂毒性通路进行建模并预测类固醇生成

Lane, Thomas R; Vignaux, Patricia A; Harris, Joshua S; Snyder, Scott H; Urbina, Fabio; Ekins, Sean

Applications of artificial intelligence in drug discovery for neurological diseases

人工智能在神经系统疾病药物研发中的应用

Ekins, Sean; Lane, Thomas R

Development and Characterization of pFluor50, a Fluorogenic-Based Kinetic Assay System for High-Throughput Inhibition Screening and Characterization of Time-Dependent Inhibition and Inhibition Type for Six Human CYPs.

pFluor50 的开发和表征,一种基于荧光的动力学分析系统,用于高通量抑制筛选和表征六种人类 CYP 的时间依赖性抑制和抑制类型

Shriwas Pratik, Revnew Andre, Roo Sarah, Bender Alex, Miller Kevin, Hadad Christopher M, Lane Thomas R, Ekins Sean, McElroy Craig A

Computational Approaches for Predicting Drug Interactions with Human Organic Anion Transporter 4 (OAT4)

预测药物与人类有机阴离子转运蛋白4 (OAT4) 相互作用的计算方法

Martinez-Guerrero, Lucy; Vignaux, Patricia A; Harris, Joshua S; Lane, Thomas R; Urbina, Fabio; Wright, Stephen H; Ekins, Sean; Cherrington, Nathan J

Human CYP2C9 Metabolism of Organophosphorus Pesticides and Nerve Agent Surrogates

人体CYP2C9对有机磷农药和神经毒剂类似物的代谢

Shriwas, Pratik; Noonchester, Abigail M; Revnew, Andre; Lane, Thomas R; Hadad, Christopher M; Ekins, Sean; McElroy, Craig A

Discovery of Dual Targeting GSK-3β/HIV-1 Reverse Transcriptase Inhibitors as Neuroprotective Antiviral Agents

发现双靶向GSK-3β/HIV-1逆转录酶抑制剂作为神经保护性抗病毒药物

Jones, Thane; Raman, Renuka; Puhl, Ana C; Lane, Thomas R; Riabova, Olga; Kazakova, Elena; Makarov, Vadim; Ekins, Sean