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Critical Reviews in Toxicology
|
September 3, 2024
Molecular similarity in chemical informatics and predictive toxicity modeling: from quantitative read-across (q-RA) to quantitative read-across structure-activity relationship (q-RASAR) with the application of machine learning
Arkaprava Banerjee, Supratik Kar, Kunal Roy, et al.
Journal of Chemical Information and Modeling
|
September 8, 2025
Physicochemical Property Models for Poly- and Perfluorinated Alkyl Substances and Other Chemical Classes
Todd M Martin, Landon R Batts, Nathaniel Charest, et al.
Journal of Chemical Information and Modeling
|
August 20, 2025
Curating and Visualizing the Analytical Methods and the Open Spectral Database's Chemical Functional Use Taxonomy
E Tyler Carr, Gregory Janesch, Nathaniel Charest, et al.
Computational Toxicology (Amsterdam, Netherlands)
|
March 12, 2026
Building a compendium of expert driven read-across cases to facilitate an analysis of the contribution that different similarity contexts play in read-across performance
Grace Patlewicz, Nathaniel Charest, Amanda Ross, et al.
The Science of the Total Environment
|
April 26, 2025
ExpoPath: A method for identifying and annotating exposure pathways from chemical co-occurrence networks
Michael A Zurek-Ost, Katherine A Phillips, Antony J Williams, et al.
Journal of Chemical Information and Modeling
|
April 24, 2025
Combined <i>In Vitro</i> and <i>In Silico</i> Workflow to Deliver Robust, Transparent, and Contextually Rigorous Models of Bioactivity
Nathaniel Charest, Gabriel Sinclair, Stephanie A Eytcheson, et al.
Journal of Chemical Information and Modeling
|
June 3, 2025
Correction to Citation in "Combined <i>In Vitro</i> and <i>In Silico</i> Workflow to Deliver Robust, Transparent, and Contextually Rigorous Models of Bioactivity"
Nathaniel Charest, Gabriel Sinclair, Stephanie A Eytcheson, et al.
Journal of Cheminformatics
|
February 20, 2024
Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling
Kamel Mansouri, José T Moreira-Filho, Charles N Lowe, et al.
Analytical Chemistry
|
December 22, 2025
Application of a Quantitative Non-targeted Analysis Workflow to Characterize PFAS in Environmental Waters
Shirley Pu, Heather D Whitehead, James P McCord, et al.
Analytical and Bioanalytical Chemistry
|
June 14, 2025
Examining the effects of analytical replication on data quality in a non-targeted analysis experiment
Troy M Ferland, Heather D Whitehead, Timothy J Buckley, et al.
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Search research articles
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Showing results (11-20 of 22) with videos related to
Sort By:
Page
of 3
Critical Reviews in Toxicology
|
September 3, 2024
Molecular similarity in chemical informatics and predictive toxicity modeling: from quantitative read-across (q-RA) to quantitative read-across structure-activity relationship (q-RASAR) with the application of machine learning
Arkaprava Banerjee, Supratik Kar, Kunal Roy, et al.
Journal of Chemical Information and Modeling
|
September 8, 2025
Physicochemical Property Models for Poly- and Perfluorinated Alkyl Substances and Other Chemical Classes
Todd M Martin, Landon R Batts, Nathaniel Charest, et al.
Journal of Chemical Information and Modeling
|
August 20, 2025
Curating and Visualizing the Analytical Methods and the Open Spectral Database's Chemical Functional Use Taxonomy
E Tyler Carr, Gregory Janesch, Nathaniel Charest, et al.
Computational Toxicology (Amsterdam, Netherlands)
|
March 12, 2026
Building a compendium of expert driven read-across cases to facilitate an analysis of the contribution that different similarity contexts play in read-across performance
Grace Patlewicz, Nathaniel Charest, Amanda Ross, et al.
The Science of the Total Environment
|
April 26, 2025
ExpoPath: A method for identifying and annotating exposure pathways from chemical co-occurrence networks
Michael A Zurek-Ost, Katherine A Phillips, Antony J Williams, et al.
Journal of Chemical Information and Modeling
|
April 24, 2025
Combined <i>In Vitro</i> and <i>In Silico</i> Workflow to Deliver Robust, Transparent, and Contextually Rigorous Models of Bioactivity
Nathaniel Charest, Gabriel Sinclair, Stephanie A Eytcheson, et al.
Journal of Chemical Information and Modeling
|
June 3, 2025
Correction to Citation in "Combined <i>In Vitro</i> and <i>In Silico</i> Workflow to Deliver Robust, Transparent, and Contextually Rigorous Models of Bioactivity"
Nathaniel Charest, Gabriel Sinclair, Stephanie A Eytcheson, et al.
Journal of Cheminformatics
|
February 20, 2024
Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling
Kamel Mansouri, José T Moreira-Filho, Charles N Lowe, et al.
Analytical Chemistry
|
December 22, 2025
Application of a Quantitative Non-targeted Analysis Workflow to Characterize PFAS in Environmental Waters
Shirley Pu, Heather D Whitehead, James P McCord, et al.
Analytical and Bioanalytical Chemistry
|
June 14, 2025
Examining the effects of analytical replication on data quality in a non-targeted analysis experiment
Troy M Ferland, Heather D Whitehead, Timothy J Buckley, et al.
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of 3