Scott Hopkins

University of Waterloo

Canada

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Articles (21)

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2025

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2023

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2022

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2022

Collaborators (5)

Christoph Schäfer

Leibniz University Hannover

GERMANY

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Graham K. Murphy

CANADA

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Alexander Haack

University of Waterloo

CANADA

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Cailum Stienstra

University of Waterloo

CANADA

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Justine Bissonnette

University of Waterloo

CANADA

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Scott Hopkins

Research Interests

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Articles (21)

Towards Generalizable In Silico Predictions of Differential Ion Mobility Using Machine Learning and Customized Fingerprint Engineering

A Machine-Learned “Chemical Intuition” to Overcome Spectroscopic Data Scarcity

From Reverse Phase Chromatography to HILIC: Graph Transformers Power Method-Independent Machine Learning of Retention Times

Triazolide Complexes of Sodium and Potassium in the Gas Phase

Two-Dimensional LC × DMS Analysis of 34 PFAS Compounds

The Protective Effects of CO2 on Fragile Ions in Differential Mobility Spectrometry

Three Candidates, Two Peaks: Addressing Conflicting Assignments of Fentanyl Protomers with DMS-UVPD

Binding Motifs of Doubly and Singly Charged Proton-Bound Clusters of B12F122– and Diaminoalkanes

Graphormer-IR: Graph Transformers Predict Experimental IR Spectra Using Highly Specialized Attention

Fluorinated Propionic Acids Unmasked: Puzzling Fragmentation Phenomena of the Deprotonated Species

Unsymmetrical Imidazopyrimidine-Based Ligand and Bimetallic Complexes

Investigating the Rydberg states and photodissociation dynamics of Kr2 using velocity map imaging

Bridging the Gap between Differential Mobility, Log S, and Log P Using Machine Learning and SHAP Analysis

Chemical Transformations Can Occur during DMS Separations: Lessons Learned from Beer’s Bittering Compounds

First-Principles Modeling of Preferential Solvation in Mixed-Modifier Differential Mobility Spectrometry

Validation of Field-Dependent Ion–Solvent Cluster Modeling via Direct Measurement of Cluster Size Distributions

Argentination: A Silver Bullet for Cannabinoid Separation by Differential Mobility Spectrometry

Using Machine Learning To Predict Partition Coefficient (Log P) and Distribution Coefficient (Log D) with Molecular Descriptors and Liquid Chromatography Retention Time

MobCal-MPI 2.0: an accurate and parallelized package for calculating field-dependent collision cross sections and ion mobilities

σ‐Holes in Iodonium Ylides: Halogen‐Bond Activation of Carboxylic Acids, Phenols and Thiophenols May Enable Their X−H Insertion Reactions

Kinetics in DMS: Modeling Clustering and Declustering Reactions

Collaborators (5)

Christoph Schäfer

Graham K. Murphy

Alexander Haack

Cailum Stienstra

Justine Bissonnette

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