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Analytical Chemistry
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February 20, 2025
From Reverse Phase Chromatography to HILIC: Graph Transformers Power Method-Independent Machine Learning of Retention Times
Cailum M K Stienstra, Emir Nazdrajić, W Scott Hopkins
Analytical Chemistry
|
June 29, 2023
Bridging the Gap between Differential Mobility, Log <i>S</i>, and Log <i>P</i> Using Machine Learning and SHAP Analysis
Cailum M K Stienstra, Christian Ieritano, Alexander Haack, et al.
The Journal of Physical Chemistry. A
|
December 23, 2024
Triazolide Complexes of Sodium and Potassium in the Gas Phase
Arthur E Lee, Cailum M K Stienstra, Terrance B McMahon, et al.
Journal of Chemical Information and Modeling
|
June 7, 2024
Graphormer-IR: Graph Transformers Predict Experimental IR Spectra Using Highly Specialized Attention
Cailum M K Stienstra, Liam Hebert, Patrick Thomas, et al.
Dalton Transactions (Cambridge, England : 2003)
|
October 23, 2024
Development of thiacrown ligands for encapsulation of mercury-197m/g into radiopharmaceuticals
Parmissa Randhawa, Cailum M K Stienstra, Shaohuang Chen, et al.
Analytical Chemistry
|
April 10, 2025
Towards Generalizable <i>In Silico</i> Predictions of Differential Ion Mobility Using Machine Learning and Customized Fingerprint Engineering
Cailum M K Stienstra, Christopher R M Ryan, Daniel Demczuk, et al.
Journal of Chemical Information and Modeling
|
February 17, 2025
A Machine-Learned "Chemical Intuition" to Overcome Spectroscopic Data Scarcity
Cailum M K Stienstra, Teun van Wieringen, Liam Hebert, et al.
Communications Chemistry
|
December 17, 2025
Structure characterization with NMR molecular networking
Cailum M K Stienstra, Jaegun Song, David Healey, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 26, 2023
Selective Chelation of the Exotic Meitner-Auger Emitter Mercury-197 m/g with Sulfur-Rich Macrocyclic Ligands: Towards the Future of Theranostic Radiopharmaceuticals
Parmissa Randhawa, K Lexi Gower-Fry, Cailum M K Stienstra, et al.
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Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Analytical Chemistry
|
February 20, 2025
From Reverse Phase Chromatography to HILIC: Graph Transformers Power Method-Independent Machine Learning of Retention Times
Cailum M K Stienstra, Emir Nazdrajić, W Scott Hopkins
Analytical Chemistry
|
June 29, 2023
Bridging the Gap between Differential Mobility, Log <i>S</i>, and Log <i>P</i> Using Machine Learning and SHAP Analysis
Cailum M K Stienstra, Christian Ieritano, Alexander Haack, et al.
The Journal of Physical Chemistry. A
|
December 23, 2024
Triazolide Complexes of Sodium and Potassium in the Gas Phase
Arthur E Lee, Cailum M K Stienstra, Terrance B McMahon, et al.
Journal of Chemical Information and Modeling
|
June 7, 2024
Graphormer-IR: Graph Transformers Predict Experimental IR Spectra Using Highly Specialized Attention
Cailum M K Stienstra, Liam Hebert, Patrick Thomas, et al.
Dalton Transactions (Cambridge, England : 2003)
|
October 23, 2024
Development of thiacrown ligands for encapsulation of mercury-197m/g into radiopharmaceuticals
Parmissa Randhawa, Cailum M K Stienstra, Shaohuang Chen, et al.
Analytical Chemistry
|
April 10, 2025
Towards Generalizable <i>In Silico</i> Predictions of Differential Ion Mobility Using Machine Learning and Customized Fingerprint Engineering
Cailum M K Stienstra, Christopher R M Ryan, Daniel Demczuk, et al.
Journal of Chemical Information and Modeling
|
February 17, 2025
A Machine-Learned "Chemical Intuition" to Overcome Spectroscopic Data Scarcity
Cailum M K Stienstra, Teun van Wieringen, Liam Hebert, et al.
Communications Chemistry
|
December 17, 2025
Structure characterization with NMR molecular networking
Cailum M K Stienstra, Jaegun Song, David Healey, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 26, 2023
Selective Chelation of the Exotic Meitner-Auger Emitter Mercury-197 m/g with Sulfur-Rich Macrocyclic Ligands: Towards the Future of Theranostic Radiopharmaceuticals
Parmissa Randhawa, K Lexi Gower-Fry, Cailum M K Stienstra, et al.
Page
of 1