Kevin McLoughlin

Publication Activity (10 Years)

Years Active: 2001-2021
Publications (10 Years): 7

Top Topics

Chemical Compounds

Mass Spectrometry

Learning Models

Top Venues

J. Chem. Inf. Model.

Publications

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)
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 E. 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)
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 E. 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 (2021)
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) (2021)
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) (2020)
Brian Davis, Kevin McLoughlin, Jonathan E. Allen, Sally R. Ellingson
Quantifying Overfitting Potential in Drug Binding Datasets. ICCS (3) (2020)
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 (2019)
Odile Cramard, Kevin McLoughlin
The Long Development of Prison Libraries in France. Libr. Trends 59 (3) (2011)
Chris Kimble, Kevin McLoughlin
Computer based Information Systems and Managers' Work CoRR (2001)