OPERA Models: Melting Point

Prolyl histamine hydrochloride
179308-53-3 | DTXSID20170794

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Model Results

Predicted value: 163 °C

Global applicability domain: Inside

Local applicability domain index: 0.31

Confidence level: 0.57

Model Performance

Scatterplot
Histogram
QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.72 51.8 0.74 50.3 0.73 52.7

Nearest Neighbors from the Training Set

  • Metoclopramide

    Measured: 147
    Predicted: 150
  • trans-Zeatin

    Measured: 208
    Predicted: 205
  • 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-

    Measured: 29.0
    Predicted: 35.0
  • Cyprazine

    Measured: 167
    Predicted: 167
  • Kinetin

    Measured: 267
    Predicted: 255