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Bioinformatics (Oxford, England)|July 25, 2023
CSI: Contrastive data Stratification for Interaction prediction and its application to compound-protein interaction predictionApurva Kalia, Dilip Krishnan, Soha HassounArxiv|November 28, 2024
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics DataApurva Kalia, Dilip Krishnan, Soha HassounBioinformatics (Oxford, England)|June 27, 2025
JESTR: Joint Embedding Space Technique for Ranking candidate molecules for the annotation of untargeted metabolomics dataApurva Kalia, Yan Zhou Chen, Dilip Krishnan, et al.Bioinformatics (Oxford, England)|August 24, 2024
An Ensemble Spectral Prediction (ESP) model for metabolite annotationXinmeng Li, Yan Zhou Chen, Apurva Kalia, et al.Bioinformatics Advances|May 14, 2025
Evaluation of search-enabled pretrained Large Language Models on retrieval tasks for the PubChem databaseAsh Sze, Soha HassounACS Omega|March 16, 2026
Role of Structural, Pharmacokinetic, and Energy Properties in the High-Throughput Prediction of Redox Potentials for Organic Molecules with Experimental CalibrationApurva Kalia, Vladimir Porokhin, Benjamin Blackburn, et al.Biorxiv : the Preprint Server for Biology|November 26, 2025
Learning from All Views: A Multiview Contrastive Framework for Metabolite AnnotationYan Zhou Chen, Soha HassounAnalytical Chemistry|February 23, 2026
Learning from All Views: A Multiview Contrastive Framework for Metabolite AnnotationYan Zhou Chen, Soha HassounArxiv|November 26, 2025
General Intelligence-based Fragmentation (GIF): A framework for peak-labeled spectra simulationMargaret R Martin, Soha HassounAnalytical Chemistry|September 16, 2025
Optimized De Novo Molecular Generation (OMG) for Mass Spectra Annotation Using Transfer and Reinforcement LearningMargaret R Martin, Soha HassounPageof 5