Ryan S. Renslow

According to our database, Ryan S. Renslow authored at least 13 papers between 2017 and 2022.

Collaborative distances:

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

2022

NP-MRD: the Natural Products Magnetic Resonance Database.

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

Nucleic Acids Res., 2022

An initial investigation of accuracy required for the identification of small molecules in complex samples using quantum chemical calculated NMR chemical shifts.

Yasemin Yesiltepe, Niranjan Govind, Thomas O. Metz, Ryan S. Renslow

J. Cheminformatics, 2022

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

Correction to "Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets".

Jamie R. Nuñez, Monee Y. McGrady, Yasemin Yesiltepe, Ryan S. Renslow, Thomas O. Metz

J. Chem. Inf. Model., 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

SPECTRe: Substructure Processing, Enumeration, and Comparison Tool Resource: An efficient tool to encode all substructures of molecules represented in SMILES.

Yasemin Yesiltepe, Ryan S. Renslow, Thomas O. Metz

CoRR, 2021

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

2020

Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets.

Jamie R. Nuñez, Monee Y. McGrady, Yasemin Yesiltepe, Ryan S. Renslow, Thomas O. Metz

J. Chem. Inf. Model., 2020

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

2019

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

2018

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

2017

Optimizing colormaps with consideration for color vision deficiency to enable accurate interpretation of scientific data.

Jamie R. Nuñez, Christopher R. Anderton, Ryan S. Renslow

CoRR, 2017

PIXiE: an algorithm for automated ion mobility arrival time extraction and collision cross section calculation using global data association.

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

Bioinform., 2017