Ryan S. Renslow

Publication Activity (10 Years)

Years Active: 2017-2022
Publications (10 Years): 13

Top Topics

Mass Spectrometry

Scientific Data Sets

Magnetic Resonance

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Publications

David S. Wishart, Zinat Sayeeda, Zachary Budinski, Anchi Guo, Brian L. Lee, Mark V. Berjanskii, Manoj Rout, Harrison Peters, Raynard Dizon, Robert Mah, Claudia Torres-Calzada, Mickel Hiebert-Giesbrecht, Dorna Varshavi, Dorsa Varshavi, Eponine Oler, Dana Allen, Xuan Cao, Vasuk Gautam, Andrew Maras, Ella F. Poynton, Pegah Tavangar, Vera Yang, Jeffrey A. van Santen, Rajarshi Ghosh, Saurav Sarma, Eleanor Knutson, Victoria Sullivan, Amy M. Jystad, Ryan S. Renslow, Lloyd W. Sumner, Roger G. Linington, John R. Cort
NP-MRD: the Natural Products Magnetic Resonance Database. Nucleic Acids Res. 50 (D1) (2022)
Yasemin Yesiltepe, Niranjan Govind, Thomas O. Metz, Ryan S. Renslow
An initial investigation of accuracy required for the identification of small molecules in complex samples using quantum chemical calculated NMR chemical shifts. J. Cheminformatics 14 (1) (2022)
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) (2021)
Jamie R. Nuñez, Monee Y. McGrady, Yasemin Yesiltepe, Ryan S. Renslow, Thomas O. Metz
Correction to "Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets". J. Chem. Inf. Model. 61 (5) (2021)
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 (2021)
Yasemin Yesiltepe, Ryan S. Renslow, Thomas O. Metz
SPECTRe: Substructure Processing, Enumeration, and Comparison Tool Resource: An efficient tool to encode all substructures of molecules represented in SMILES. CoRR (2021)
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) (2021)
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 (2020)
Jamie R. Nuñez, Monee Y. McGrady, Yasemin Yesiltepe, Ryan S. Renslow, Thomas O. Metz
Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets. J. Chem. Inf. Model. 60 (12) (2020)
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) (2019)
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) (2018)
Jian Ma, Cameron P. Casey, Xueyun Zheng, Yehia M. Ibrahim, Christopher S. Wilkins, Ryan S. Renslow, Dennis G. Thomas, Samuel H. Payne, Matthew E. Monroe, Richard D. Smith, Justin G. Teeguarden, Erin S. Baker, Thomas O. Metz
PIXiE: an algorithm for automated ion mobility arrival time extraction and collision cross section calculation using global data association. Bioinform. 33 (17) (2017)
Jamie R. Nuñez, Christopher R. Anderton, Ryan S. Renslow
Optimizing colormaps with consideration for color vision deficiency to enable accurate interpretation of scientific data. CoRR (2017)