Detecting distance between injected microspheres and target tumor via 3D reconstruction of tissue sections. - James P. Carson; Andrew P. Kuprat; Sean M. Colby; Cassi A. Davis; Christopher A. Basciano; Kevin Greene; John Feo; Andrew Kennedy (EMBC, 2012)

An automated framework for NMR chemical shift calculations of small organic molecules. - 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 (J. Cheminformatics, 2018)

Evaluation of In Silico Multifeature Libraries for Providing Evidence for the Presence of Small Molecules in Synthetic Blinded Samples. - 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 (J. Chem. Inf. Model., 2019)

Application and Assessment of Deep Learning for the Generation of Potential NMDA Receptor Antagonists. - Katherine J. Schultz; Sean M. Colby; Yasemin Yesiltepe; Jamie R. Nuñez; Monee Y. McGrady; Ryan S. Renslow (CoRR, 2020)

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. - Felicity F. Nielson; Sean M. Colby; Ryan S. Renslow; Thomas O. Metz (CoRR, 2021)

Mass Spectrometry Adduct Calculator. - Madison R. Blumer; Christine H. Chang; Evangelina Brayfindley; Jamie R. Nuñez; Sean M. Colby; Ryan S. Renslow; Thomas O. Metz (J. Chem. Inf. Model., 2021)

Ligand- and Structure-Based Analysis of Deep Learning-Generated Potential α2a Adrenoceptor Agonists. - Katherine J. Schultz; Sean M. Colby; Vivian S. Lin; Aaron T. Wright; Ryan S. Renslow (J. Chem. Inf. Model., 2021)

DEIMoS GUI: An Open-Source User Interface for a High-Dimensional Mass Spectrometry Data Processing Tool. - Marjolein T. Oostrom; Sean M. Colby; Thomas O. Metz (J. Chem. Inf. Model., 2024)