Explore more projects

2024

  • AI/ML

Sirtuin 6 Inhibitor
 Small Molecule Prediction

Cheminformatics predictive modeling for small molecule candidates inhibiting Sirtuin 6 enzymes, evaluating Scaled KNN against Decision Trees.

Sirtuin 6 Inhibitor Small Molecule Prediction

Overview

Predicting small molecule effectiveness as Sirtuin 6 (SIRT6) inhibitor candidates based on molecular descriptors and chemical properties.

Metrics & Insights

  • Evaluated Decision Trees vs Scaled K-Nearest Neighbors on 100 compounds with 6 chemical descriptors.
  • Scaled KNN achieved 85.0% test accuracy and 81.25% cross-validation score, mitigating severe overfitting observed in Decision Trees (100% train vs 80% test).

Tech Stack: Python, Scikit-learn, Streamlit, Pandas, Matplotlib

Last updated on September 16, 2026 at 12:23 PM UTC+7. See Changelog