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Cheminformatics Internship Topics

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Cheminformatics Internships with Accommodation

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Showing 37–40 of 40 internship topics
Metabolic Pathway Analysis and Substrate Classification
Interns will analyze drug metabolic pathways using chemoinformatics tools to classify compounds as substrates, inhibitors, or inducers of key metabolic enzymes. This involves literature mining, pathway visualization, and building decision trees to predict metabolic outcomes and potential drug-drug interaction risks.
Metabolism-Based Drug-Drug Interaction PredictionView internship →
Machine Learning Models for DDI Prediction
Interns will develop machine learning pipelines using molecular descriptors and fingerprints to predict metabolism-based drug-drug interactions. They will train models on curated DDI datasets, perform feature importance analysis, and validate predictions against experimental or clinical data from public repositories.
Metabolism-Based Drug-Drug Interaction PredictionView internship →
Pharmacophore Development for Metabolic Enzyme Binding
Interns will design and validate 3D pharmacophore models for substrate and inhibitor binding sites of metabolic enzymes using structural biology data. They will use these models to screen compound libraries and predict binding affinities that contribute to DDI potential.
Metabolism-Based Drug-Drug Interaction PredictionView internship →
DDI Database Curation and Structure-Activity Relationship Mining
Interns will curate and standardize metabolism-based DDI datasets from literature and public sources, then perform systematic structure-activity relationship (SAR) analysis. They will identify molecular patterns and chemical scaffolds associated with DDI risk to support predictive model development.
Metabolism-Based Drug-Drug Interaction PredictionView internship →
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