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2020 – today
- 2022
[i4]Ya Ju Fan, Jonathan E. Allen, Kevin S. McLoughlin, Da Shi, Brian J. Bennion, Xiaohua Zhang, Felice C. Lightstone:
Evaluating Point-Prediction Uncertainties in Neural Networks for Drug Discovery. CoRR abs/2210.17043 (2022)- 2021
- [j4]Sam Ade Jacobs
, Tim Moon, Kevin McLoughlin, Derek Jones, David Hysom, Dong H. Ahn, John C. Gyllenhaal, Pythagoras Watson, Felice C. Lightstone, Jonathan E. Allen, Ian Karlin, Brian Van Essen:
Enabling rapid COVID-19 small molecule drug design through scalable deep learning of generative models. Int. J. High Perform. Comput. Appl. 35(5) (2021) - [j3]Kevin McLoughlin, Claire G. Jeong, Thomas D. Sweitzer, Amanda J. Minnich, Margaret Tse, Brian J. Bennion, Jonathan E. Allen, Stacie Calad-Thomson, Tom Rush, Jim Brase:
Machine Learning Models to Predict Inhibition of the Bile Salt Export Pump. J. Chem. Inf. Model. 61(2): 587-602 (2021) - [c2]Garrett A. Stevenson, Derek Jones, Hyojin Kim, W. F. Drew Bennett, Brian J. Bennion, Monica Borucki, Feliza Bourguet, Aidan Epstein, Magdalena Franco, Brooke Harmon, Stewart He, Max P. Katz, Daniel A. Kirshner, Victoria Lao, Edmond Y. Lau, Jacky Lo, Kevin McLoughlin, Richard Mosesso, Deepa K. Murugesh, Oscar A. Negrete, Edwin A. Saada, Brent Segelke, Maxwell Stefan, Marisa W. Torres, Dina Weilhammer, Sergio Ernesto Wong, Yue Yang, Adam T. Zemla, Xiaohua Zhang, Fangqiang Zhu, Felice C. Lightstone, Jonathan E. Allen:
High-throughput virtual screening of small molecule inhibitors for SARS-CoV-2 protein targets with deep fusion models. SC 2021: 74 - [i3]Garrett A. Stevenson, Derek Jones, Hyojin Kim, W. F. Drew Bennett, Brian J. Bennion, Monica Borucki, Feliza Bourguet, Aidan Epstein, Magdalena Franco, Brooke Harmon, Stewart He, Max P. Katz, Daniel A. Kirshner, Victoria Lao, Edmond Y. Lau, Jacky Lo, Kevin McLoughlin, Richard Mosesso, Deepa K. Murugesh, Oscar A. Negrete, Edwin A. Saada, Brent Segelke, Maxwell Stefan, Marisa W. Torres, Dina Weilhammer, Sergio Ernesto Wong, Yue Yang, Adam T. Zemla, Xiaohua Zhang, Fangqiang Zhu, Felice C. Lightstone, Jonathan E. Allen:
High-Throughput Virtual Screening of Small Molecule Inhibitors for SARS-CoV-2 Protein Targets with Deep Fusion Models. CoRR abs/2104.04547 (2021) - 2020
- [j2]Amanda J. Minnich, Kevin McLoughlin, Margaret Tse, Jason Deng, Andrew Weber, Neha Murad, Benjamin D. Madej, Bharath Ramsundar, Tom Rush, Stacie Calad-Thomson, Jim Brase, Jonathan E. Allen:
AMPL: A Data-Driven Modeling Pipeline for Drug Discovery. J. Chem. Inf. Model. 60(4): 1955-1968 (2020) - [c1]Brian Davis, Kevin McLoughlin, Jonathan E. Allen, Sally R. Ellingson:
Quantifying Overfitting Potential in Drug Binding Datasets. ICCS (3) 2020: 585-598
2010 – 2019
- 2019
- [i2]Amanda J. Minnich, Kevin McLoughlin, Margaret Tse, Jason Deng, Andrew Weber, Neha Murad, Benjamin D. Madej, Bharath Ramsundar, Tom Rush, Stacie Calad-Thomson, Jim Brase, Jonathan E. Allen:
AMPL: A Data-Driven Modeling Pipeline for Drug Discovery. CoRR abs/1911.05211 (2019) - 2011
- [j1]Odile Cramard, Kevin McLoughlin:
The Long Development of Prison Libraries in France. Libr. Trends 59(3): 544-562 (2011)
2000 – 2009
- 2001
- [i1]Chris Kimble, Kevin McLoughlin:
Computer based Information Systems and Managers' Work. CoRR cs.CY/0102029 (2001)
Coauthor Index
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