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Sensitivity Scoring

CETSA responses cannot be summarized by a single parameter. The pipeline therefore computes a composite score that captures multiple aspects of protein behavior.

NADPH Sensitivity Score (NSS)

The NSS integrates:

  • EC50 (inverted, lower is stronger)
  • Δmax (magnitude of response)
  • Hill coefficient (shape of response)
  • R² (fit reliability)

Each component is:

  • Robustly scaled using median and IQR
  • Transformed to a bounded range
  • Combined using weighted aggregation

Default weighting

  • EC50: dominant contribution
  • Δmax: secondary importance
  • Hill: moderate influence
  • R²: reliability adjustment

This reflects biological priorities, where affinity-like behavior (EC50) is most informative.

Replicate handling

  • Replicates are aggregated per protein using median or mean.
  • This reduces noise and stabilizes downstream analysis.

Output

  • NSS (continuous score per protein)
  • NSS rank across the proteome
  • Scaled versions of all contributing features

Interpretation

  • High NSS → strong and reliable NADPH response
  • Low NSS → weak or no response
  • Distribution of NSS reflects system-wide sensitivity patterns

The NSS provides a unified, interpretable measure of responsiveness.