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Ryan S. Renslow
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2020 – today
- 2022
- [j9]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): 64 (2022) - [j8]David S. Wishart
NP-MRD: the Natural Products Magnetic Resonance Database. Nucleic Acids Res. 50(D1): 665-677 (2022) - 2021
- [j7]Katherine J. Schultz
Ligand- and Structure-Based Analysis of Deep Learning-Generated Potential α2a Adrenoceptor Agonists. J. Chem. Inf. Model. 61(1): 481-492 (2021) - [j6]Jamie R. Nuñez, Monee Y. McGrady, Yasemin Yesiltepe, Ryan S. Renslow
Correction to "Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets". J. Chem. Inf. Model. 61(5): 2509-2510 (2021) - [j5]Madison R. Blumer
Mass Spectrometry Adduct Calculator. J. Chem. Inf. Model. 61(12): 5721-5725 (2021) - [i4]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) - [i3]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 abs/2111.03227 (2021) - 2020
- [j4]Jamie R. Nuñez, Monee Y. McGrady, Yasemin Yesiltepe, Ryan S. Renslow
Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets. J. Chem. Inf. Model. 60(12): 6251-6257 (2020) - [i2]Katherine J. Schultz
Application and Assessment of Deep Learning for the Generation of Potential NMDA Receptor Antagonists. CoRR abs/2003.14360 (2020)
2010 – 2019
- 2019
- [j3]Jamie R. Nuñez, Sean M. Colby, Dennis G. Thomas
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
- [j2]Yasemin Yesiltepe, Jamie R. Nuñez, Sean M. Colby, Dennis G. Thomas, Mark I. Borkum, Patrick Reardon
An automated framework for NMR chemical shift calculations of small organic molecules. J. Cheminformatics 10(1): 52:1-52:16 (2018) - 2017
- [j1]Jian Ma, Cameron P. Casey
PIXiE: an algorithm for automated ion mobility arrival time extraction and collision cross section calculation using global data association. Bioinform. 33(17): 2715-2722 (2017) - [i1]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 abs/1712.01662 (2017)
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