Binding Curve Analysis
↗Backend logic for the interactive regression model above. A reusable pipeline for tabular data ingestion, outlier detection via Z-score thresholds, and 4PL curve fitting with Hill slope validation.
scipy pandas matplotlib
Analysis
Quantitative modeling and reproducibility workflows.
Automated Reporting Pipeline
↗Developed a reporting engine using R/RDKit that generates structure-annotated slide decks directly from raw plate reader data. Standardized the visualization of dose-response curves and QC metrics for team review.
RDKit Report Generation Workflow Opt
Structural Visualization
↗Programmatic generation of publication-quality structural figures. Automates the mapping of Structure-Activity Relationship (SAR) data directly onto 3D surfaces to elucidate binding pocket dynamics.
ChimeraX RDKit PyMOL