Kevin McLoughlin

According to our database, Kevin McLoughlin authored at least 8 papers between 2001 and 2022.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2022

Evaluating Point-Prediction Uncertainties in Neural Networks for Drug Discovery.

Ya Ju Fan, Jonathan E. Allen, Kevin S. McLoughlin, Da Shi, Brian J. Bennion, Xiaohua Zhang, Felice C. Lightstone

CoRR, 2022

2021

Machine Learning Models to Predict Inhibition of the Bile Salt Export Pump.

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

J. Chem. Inf. Model., 2021

Enabling rapid COVID-19 small molecule drug design through scalable deep learning of generative models.

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

Int. J. High Perform. Comput. Appl., 2021

High-throughput virtual screening of small molecule inhibitors for SARS-CoV-2 protein targets with deep fusion models.

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

Proceedings of the International Conference for High Performance Computing, 2021

2020

AMPL: A Data-Driven Modeling Pipeline for Drug Discovery.

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

J. Chem. Inf. Model., 2020

Quantifying Overfitting Potential in Drug Binding Datasets.

Brian Davis, Kevin McLoughlin, Jonathan E. Allen, Sally R. Ellingson

Proceedings of the Computational Science - ICCS 2020, 2020

2011

The Long Development of Prison Libraries in France.

Odile Cramard, Kevin McLoughlin

Libr. Trends, 2011

2001

Computer based Information Systems and Managers' Work

Chris Kimble, Kevin McLoughlin

CoRR, 2001