Presentations and Talks
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Beyond database search: machine learning method for small molecule identification
San Diego State University · San Diego, CA
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A task-specific transfer learning approach to enhancing small molecule retention time prediction with limited data
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Enhanced structure-based prediction of chiral stationary phases for chromatographic enantioseparation from 3D molecular conformations
Research Group @ Amgen · Virtual
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Predicting compositional fragments of compounds from their tandem mass spectra using deep neural networks
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3DMolMS: prediction of tandem mass spectra from 3D molecular conformations
Turkey Run Analytical Chemistry Conference 2023 · Marshall, IN
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A machine learning model for chemical formula prediction using tandem mass spectra of compounds
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Prediction of molecular tandem mass spectra using 3-dimensional conformers