Sean Ekins
1996–2025 年に発表
- 243
- 論文数
- 18,262
- 被引用数
- 83
- h 指数
- 231
- i10 指数
被引用数
引用元
国・地域
機関
分野
- Computer Science38.7%
- Medicine25%
- Biochemistry, Genetics and Molecular Biology13.1%
- Pharmacology, Toxicology and Pharmaceutics8.9%
- Chemistry2.3%
- Neuroscience2.2%
- その他9.8%
トピック
- Computational Drug Discovery Methods16.8%
- Pharmacogenetics and Drug Metabolism5.4%
- Drug Transport and Resistance Mechanisms3.1%
- Machine Learning in Materials Science2.8%
- Analytical Chemistry and Chromatography2.3%
- Bioinformatics and Genomic Networks2%
- その他67.6%
共著者
- Thomas R. Lane42
- Kimberley M. Zorn30
- Joel S. Freundlich28
- Ana C. Puhl25
- Fabio Urbina23
- Alex M. Clark22
- Daniel H. Foil20
- Peter B. Madrid17
- Antony Williams14
- Matthew D. Krasowski14
- Steven Wrighton13
- Peter W. Swaan12
- Alexander L. Perryman11
- Barry A. Bunin11
- Carolina Horta Andrade11
- James H. Wikel11
- Vadim Makarov11
- Robert C. Reynolds10
- Tatiana Nikolskaya10
- Glaucius Oliva9
- Sandhya Kortagere9
- William J. Welsh9
- Cheng Chang8
- Stephen H. Wright8
全論文
- Dual use of artificial-intelligence-powered drug discovery
著者: Fabio Urbina, Filippa Lentzos, Cédric Invernizzi, Sean Ekins - Nature Machine Intelligence, Nat. Mach. Intell. 2022 被引用: 310
- Exploiting machine learning for end-to-end drug discovery and development
著者: Sean Ekins, Ana C. Puhl, Kimberley M. Zorn, Thomas R. Lane, Daniel P. Russo, Jennifer J. Klein, Anthony J. Hickey, Alex M. Clark - Nature Materials 2019 被引用: 566
- Quantum Machine Learning Algorithms for Drug Discovery Applications
著者: Kushal Batra, Kimberley M. Zorn, Daniel H. Foil, Eni Minerali, Victor O. Gawriljuk, Thomas R. Lane, Sean Ekins - Journal of Chemical Information and Modeling, J. Chem. Inf. Model. 2021 被引用: 162
- In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling
著者: Sean Ekins, Jordi Mestres, Bernard Testa - British Journal of Pharmacology 2007 被引用: 698
- Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets
著者: Alexandru Korotcov, Valery Tkachenko, Daniel P. Russo, Sean Ekins - Molecular Pharmaceutics 2017 被引用: 360
- CATMoS: Collaborative Acute Toxicity Modeling Suite
著者: Kamel Mansouri, Agnes L. Karmaus, Jeremy Fitzpatrick, Grace Patlewicz, Prachi Pradeep, Domenico Alberga, Nathalie Alépée, Timothy E. H. Allen, Dave Allen, Vinícius M. Alves, Carolina Horta Andrade, Tyler R. Auernhammer, Davide Ballabio, Shannon Bell, Emilio Benfenati, Sudin Bhattacharya, Joyce V. Bastos, Stephen A. Boyd, J.B. Brown, Stephen J. Capuzzi, Yaroslav Chushak, Heather L. Ciallella, Alex M. Clark, Viviana Consonni, Pankaj Daga, Sean Ekins, Sherif S. Farag, Maxim V. Fedorov, Denis Fourches, Domenico Gadaleta, Feng Gao, Jeffery M. Gearhart, Garett Goh, Jonathan M. Goodman, Francesca Grisoni, Chris Grulke, Thomas Härtung, Matthew Hirn, Pavel Karpov, Alexandru Korotcov, Giovanna J. Lavado, Michael S. Lawless, Xinhao Li, Thomas Luechtefeld, Filippo Lunghini, Giuseppe Felice Mangiatordi, Gilles Marcou, Dan H. Marsh, Todd M. Martin, Andrea Mauri, Eugene Muratov, Glenn J. Myatt, Ðắc-Trung Nguyễn, Orazio Nicolotti, Reine Note, Paritosh Pande, Amanda K. Parks, Tyler Peryea, Ahsan Habib Polash, Robert Ralló, Alessandra Roncaglioni, Craig Rowlands, Patricia Ruiz, Daniel P. Russo, Ahmed E Sayed, Risa Sayre, Timothy Sheils, Charles Siegel, Arthur C. Silva, Anton Simeonov, Sergey Sosnin, Noel Southall, Judy Strickland, Yun Tang, Brian J. Teppen, Igor V. Tetko, Dennis Thomas, Valery Tkachenko, Roberto Todeschini, Cosimo Toma, Ignacio J. Tripodi, Daniela Trisciuzzi, Alexander Tropsha, Alexandre Varnek, Kristijan Vuković, Zhongyu Wang, Liguo Wang, Katrina M. Waters, Andrew J. Wedlake, Sanjeeva J. Wijeyesakere, Dan Wilson, Zijun Xiao, Hongbin Yang, Gergely Zahoránszky-Köhalmi, Alexey Zakharov, Fagen F. Zhang, Zhen Zhang, Tongan Zhao, Hao Zhu, Kimberley M. Zorn ほか 2 名 - Environmental Health Perspectives 2021 被引用: 141
- Opportunities and challenges using artificial intelligence in ADME/Tox
著者: Barun Bhhatarai, W. Patrick Walters, Cornelis E. C. A. Hop, Guido Lanza, Sean Ekins - Nature Materials 2019 被引用: 122
- A critical overview of computational approaches employed for COVID-19 drug discovery
著者: Nathan Brown, Kenneth M. Merz, Matthew H. Todd, José L. Medina‐Franco, Sean Ekins, Alexey Zakharov, Artem Cherkasov, Eugene Muratov, Dima Kozakov, Carolina Horta Andrade, Alexandre Varnek, Denis Fourches, Vladimir Poroikov, Rommie E. Amaro, David A. Winkler, Olexandr Isayev, Tudor I. Oprea, Alexander Tropsha, Gisbert Schneider - Chemical Society Reviews 2021 被引用: 212
- In silicopharmacology for drug discovery: applications to targets and beyond
著者: Sean Ekins, Jordi Mestres, Bernard Testa - British Journal of Pharmacology 2007 被引用: 355
- Comparing Machine Learning Algorithms for Predicting Drug-Induced Liver Injury (DILI)
著者: Eni Minerali, Daniel H. Foil, Kimberley M. Zorn, Thomas R. Lane, Sean Ekins - Molecular Pharmaceutics 2020 被引用: 106
- Recent advances in drug repurposing using machine learning
著者: Fabio Urbina, Ana C. Puhl, Sean Ekins - Current Opinion in Chemical Biology 2021 被引用: 69
- MegaSyn: Integrating Generative Molecular Design, Automated Analog Designer, and Synthetic Viability Prediction
著者: Fabio Urbina, Christopher T. Lowden, Joseph Culberson, Sean Ekins - ACS Omega 2022 被引用: 43
- Knowledge-based approaches to drug discovery for rare diseases
著者: Vinícius M. Alves, Daniel Korn, Vera Pervitsky, Andrew Thieme, Stephen J. Capuzzi, Nancy Baker, Rada Chirkova, Sean Ekins, Eugene Muratov, Anthony J. Hickey, Alexander Tropsha - Drug Discovery Today 2021 被引用: 42
- The Next Era: Deep Learning in Pharmaceutical Research
著者: Sean Ekins - Pharmaceutical Research 2016 被引用: 236
- Non-classical transpeptidases yield insight into new antibacterials
著者: Pankaj Kumar, Amit Kaushik, Evan P. Lloyd, Shao-Gang Li, Rohini Mattoo, Nicole C. Ammerman, Drew T. Bell, Alexander L. Perryman, Trevor A. Zandi, Sean Ekins, Stephan L. Ginell, Craig A. Townsend, Joel S. Freundlich, Gyanu Lamichhane - Nature Chemical Biology 2016 被引用: 141
- Comparing Multiple Machine Learning Algorithms and Metrics for Estrogen Receptor Binding Prediction
著者: Daniel P. Russo, Kimberley M. Zorn, Alex M. Clark, Hao Zhu, Sean Ekins - Molecular Pharmaceutics 2018 被引用: 155
- Bioactivity Comparison across Multiple Machine Learning Algorithms Using over 5000 Datasets for Drug Discovery
著者: Thomas R. Lane, Daniel H. Foil, Eni Minerali, Fabio Urbina, Kimberley M. Zorn, Sean Ekins - Molecular Pharmaceutics 2020 被引用: 54
- A bibliometric review of drug repurposing
著者: Nancy Baker, Sean Ekins, Antony Williams, Alexander Tropsha - Drug Discovery Today 2018 被引用: 211
- Drug Transporters on Arachnoid Barrier Cells Contribute to the Blood–Cerebrospinal Fluid Barrier
著者: Kazuto Yasuda, Cynthia Cline, Peter Vogel, Mihaela Onciu, Soghra Fatima, Brian P. Sorrentino, Ranjit K. Thirumaran, Sean Ekins, Yoshihiro Urade, Ko Fujimori, Erin G. Schuetz - Drug Metabolism and Disposition 2013 被引用: 129
- Comparing LD50/LC50 Machine Learning Models for Multiple Species
著者: Thomas R. Lane, Joshua D. Harris, Fabio Urbina, Sean Ekins - ACS Chemical Health & Safety 2023 被引用: 38
- A Predictive Ligand-Based Bayesian Model for Human Drug-Induced Liver Injury
著者: Sean Ekins, Antony Williams, Jinghai J. Xu - Drug Metabolism and Disposition 2010 被引用: 125
- Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery
著者: Thomas R. Lane, Daniel P. Russo, Kimberley M. Zorn, Alex M. Clark, Alexandru Korotcov, Valery Tkachenko, Robert C. Reynolds, Alexander L. Perryman, Joel S. Freundlich, Sean Ekins - Molecular Pharmaceutics 2018 被引用: 116
- Validation of Acetylcholinesterase Inhibition Machine Learning Models for Multiple Species
著者: Patricia A. Vignaux, Thomas R. Lane, Fabio Urbina, Jacob Gerlach, Ana C. Puhl, Scott H. Snyder, Sean Ekins - Chemical Research in Toxicology 2023 被引用: 30
- Cross-reactivity of steroid hormone immunoassays: clinical significance and two-dimensional molecular similarity prediction
著者: Matthew D. Krasowski, Denny Drees, Cory Morris, Jon Maakestad, John Blau, Sean Ekins - BMC Clinical Pathology 2014 被引用: 205
