Ryan S. Renslow

13 papers Journal 13
YearRankTypeTitle / Venue / Authors
2022 J jnl
An initial investigation of accuracy required for the identification of small molecules in complex samples using quantum chemical calculated NMR chemical shifts.
J. Cheminformatics
Yasemin Yesiltepe, Niranjan Govind, Thomas O. Metz, Ryan S. Renslow
2022 J jnl
NP-MRD: the Natural Products Magnetic Resonance Database.
Nucleic Acids Res.
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
2021 J jnl
Correction to "Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets".
J. Chem. Inf. Model.
Jamie R. Nuñez, Monee Y. McGrady, Yasemin Yesiltepe, Ryan S. Renslow, Thomas O. Metz
2021 J jnl
Ligand- and Structure-Based Analysis of Deep Learning-Generated Potential α2a Adrenoceptor Agonists.
J. Chem. Inf. Model.
Katherine J. Schultz, Sean M. Colby, Vivian S. Lin, Aaron T. Wright, Ryan S. Renslow
2021 J jnl
Mass Spectrometry Adduct Calculator.
J. Chem. Inf. Model.
Madison R. Blumer, Christine H. Chang, Evangelina Brayfindley, Jamie R. Nuñez, Sean M. Colby, Ryan S. Renslow, Thomas O. Metz
2021 J jnl
SPECTRe: Substructure Processing, Enumeration, and Comparison Tool Resource: An efficient tool to encode all substructures of molecules represented in SMILES.
CoRR
Yasemin Yesiltepe, Ryan S. Renslow, Thomas O. Metz
2021 J jnl
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
Felicity F. Nielson, Sean M. Colby, Ryan S. Renslow, Thomas O. Metz
2020 J jnl
Application and Assessment of Deep Learning for the Generation of Potential NMDA Receptor Antagonists.
CoRR
Katherine J. Schultz, Sean M. Colby, Yasemin Yesiltepe, Jamie R. Nuñez, Monee Y. McGrady, Ryan S. Renslow
2020 J jnl
Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets.
J. Chem. Inf. Model.
Jamie R. Nuñez, Monee Y. McGrady, Yasemin Yesiltepe, Ryan S. Renslow, Thomas O. Metz
2019 J jnl
Evaluation of In Silico Multifeature Libraries for Providing Evidence for the Presence of Small Molecules in Synthetic Blinded Samples.
J. Chem. Inf. Model.
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
2018 J jnl
An automated framework for NMR chemical shift calculations of small organic molecules.
J. Cheminformatics
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
2017 J jnl
Optimizing colormaps with consideration for color vision deficiency to enable accurate interpretation of scientific data.
CoRR
Jamie R. Nuñez, Christopher R. Anderton, Ryan S. Renslow
2017 J jnl
PIXiE: an algorithm for automated ion mobility arrival time extraction and collision cross section calculation using global data association.
Bioinform.
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