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Journal of Cheminformatics
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October 5, 2023
Paths to cheminformatics: Q&A with Nathaniel Charest
Nathaniel Charest
The Journal of Physical Chemistry. B
|
August 14, 2020
Latent Models of Molecular Dynamics Data: Automatic Order Parameter Generation for Peptide Fibrillization
Nathaniel Charest, Michael Tro, Michael T Bowers, et al.
Journal of Computational Chemistry
|
February 26, 2017
Systematic derivation of implicit solvent models for the study of polymer collapse
Bin Song, Nathaniel Charest, Herbert Alexander Morriss-Andrews, et al.
Analytical and Bioanalytical Chemistry
|
June 9, 2025
Examining structure-based surrogate selection for quantitative non-targeted analysis
Nathaniel Charest, Shirley Pu, James P McCord, et al.
The Journal of Physical Chemistry. B
|
June 1, 2019
The Classifying Autoencoder: Gaining Insight into Amyloid Assembly of Peptides and Proteins
Michael J Tro, Nathaniel Charest, Zachary Taitz, et al.
RNA (New York, N.Y.)
|
August 14, 2023
Discovering pathways through ribozyme fitness landscapes using information theoretic quantification of epistasis
Nathaniel Charest, Yuning Shen, Yei-Chen Lai, et al.
Analytical and Bioanalytical Chemistry
|
March 26, 2024
Improving predictions of compound amenability for liquid chromatography-mass spectrometry to enhance non-targeted analysis
Nathaniel Charest, Charles N Lowe, Christian Ramsland, et al.
Journal of Visualized Experiments : Jove
|
June 23, 2025
Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
Gregory Janesch, Erik Tyler Carr, Sakuntala Sivasupramaniam, et al.
Journal of Chemical Information and Modeling
|
July 22, 2025
Prediction of Fraction Unbound in Human Plasma for Per- and Polyfluoroalkyl Substances: Evaluating Transfer Learning as an Algorithmic Solution to the Problem of Sparse Data
Gabriel Sinclair, Nathaniel Charest, Barbara A Wetmore, et al.
Chemical Research in Toxicology
|
March 6, 2023
Transparency in Modeling through Careful Application of OECD's QSAR/QSPR Principles via a Curated Water Solubility Data Set
Charles N Lowe, Nathaniel Charest, Christian Ramsland, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 22) with videos related to
Sort By:
Page
of 3
Journal of Cheminformatics
|
October 5, 2023
Paths to cheminformatics: Q&A with Nathaniel Charest
Nathaniel Charest
The Journal of Physical Chemistry. B
|
August 14, 2020
Latent Models of Molecular Dynamics Data: Automatic Order Parameter Generation for Peptide Fibrillization
Nathaniel Charest, Michael Tro, Michael T Bowers, et al.
Journal of Computational Chemistry
|
February 26, 2017
Systematic derivation of implicit solvent models for the study of polymer collapse
Bin Song, Nathaniel Charest, Herbert Alexander Morriss-Andrews, et al.
Analytical and Bioanalytical Chemistry
|
June 9, 2025
Examining structure-based surrogate selection for quantitative non-targeted analysis
Nathaniel Charest, Shirley Pu, James P McCord, et al.
The Journal of Physical Chemistry. B
|
June 1, 2019
The Classifying Autoencoder: Gaining Insight into Amyloid Assembly of Peptides and Proteins
Michael J Tro, Nathaniel Charest, Zachary Taitz, et al.
RNA (New York, N.Y.)
|
August 14, 2023
Discovering pathways through ribozyme fitness landscapes using information theoretic quantification of epistasis
Nathaniel Charest, Yuning Shen, Yei-Chen Lai, et al.
Analytical and Bioanalytical Chemistry
|
March 26, 2024
Improving predictions of compound amenability for liquid chromatography-mass spectrometry to enhance non-targeted analysis
Nathaniel Charest, Charles N Lowe, Christian Ramsland, et al.
Journal of Visualized Experiments : Jove
|
June 23, 2025
Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
Gregory Janesch, Erik Tyler Carr, Sakuntala Sivasupramaniam, et al.
Journal of Chemical Information and Modeling
|
July 22, 2025
Prediction of Fraction Unbound in Human Plasma for Per- and Polyfluoroalkyl Substances: Evaluating Transfer Learning as an Algorithmic Solution to the Problem of Sparse Data
Gabriel Sinclair, Nathaniel Charest, Barbara A Wetmore, et al.
Chemical Research in Toxicology
|
March 6, 2023
Transparency in Modeling through Careful Application of OECD's QSAR/QSPR Principles via a Curated Water Solubility Data Set
Charles N Lowe, Nathaniel Charest, Christian Ramsland, et al.
Page
of 3