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2020 – today
- 2024
[j5]Marjolein T. Oostrom
, Sean M. Colby, Thomas O. Metz:
DEIMoS GUI: An Open-Source User Interface for a High-Dimensional Mass Spectrometry Data Processing Tool. J. Chem. Inf. Model. 64(5): 1419-1424 (2024)- 2021
- [j4]Katherine J. Schultz, Sean M. Colby, Vivian S. Lin, Aaron T. Wright, Ryan S. Renslow:
Ligand- and Structure-Based Analysis of Deep Learning-Generated Potential α2a Adrenoceptor Agonists. J. Chem. Inf. Model. 61(1): 481-492 (2021) - [j3]Madison R. Blumer, Christine H. Chang, Evangelina Brayfindley, Jamie R. Nuñez, Sean M. Colby, Ryan S. Renslow, Thomas O. Metz:
Mass Spectrometry Adduct Calculator. J. Chem. Inf. Model. 61(12): 5721-5725 (2021) - [i2]Felicity F. Nielson, Sean M. Colby, Ryan S. Renslow, Thomas O. Metz:
Similarity Downselection: A Python implementation of a heuristic search algorithm for finding the set of the n most dissimilar items with an application in conformer sampling. CoRR abs/2105.02991 (2021) - 2020
- [i1]Katherine J. Schultz, Sean M. Colby, Yasemin Yesiltepe, Jamie R. Nuñez, Monee Y. McGrady, Ryan S. Renslow:
Application and Assessment of Deep Learning for the Generation of Potential NMDA Receptor Antagonists. CoRR abs/2003.14360 (2020)
2010 – 2019
- 2019
- [j2]Jamie R. Nuñez, Sean M. Colby, Dennis G. Thomas, Malak M. Tfaily, Nikola Tolic, Elin M. Ulrich, Jon R. Sobus, Thomas O. Metz, Justin G. Teeguarden, Ryan S. Renslow:
Evaluation of In Silico Multifeature Libraries for Providing Evidence for the Presence of Small Molecules in Synthetic Blinded Samples. J. Chem. Inf. Model. 59(9): 4052-4060 (2019) - 2018
- [j1]Yasemin Yesiltepe, Jamie R. Nuñez, Sean M. Colby, Dennis G. Thomas, Mark I. Borkum, Patrick Reardon, Nancy M. Washton, Thomas O. Metz, Justin G. Teeguarden, Niranjan Govind, Ryan S. Renslow:
An automated framework for NMR chemical shift calculations of small organic molecules. J. Cheminformatics 10(1): 52:1-52:16 (2018) - 2012
- [c1]James P. Carson, Andrew P. Kuprat, Sean M. Colby, Cassi A. Davis, Christopher A. Basciano, Kevin Greene, John Feo, Andrew Kennedy:
Detecting distance between injected microspheres and target tumor via 3D reconstruction of tissue sections. EMBC 2012: 1149-1152
Coauthor Index
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