TEST Model Calculation Details: Vapor Pressure

Structural image of CHEBI:59004
Chemical Identifiers
Preferred name: CHEBI:59004
DTXSID: DTXSID90429524
DTXCID: DTXCID80380357
CASRN: 64527-04-4
Molecular weight: 244.27
Model Results
Model name: TEST_VP
Model source: TEST5.1.3
Property name: Vapor Pressure
Property description: The pressure exerted by a vapor in thermodynamic equilibrium with the liquid phase in a closed system at a given temperature
Experimental value: Experimental value from TEST5.1.3
 N/A
Predicted value: Predicted value from the model
6.93E-09 mmHg
Combined applicability domain:  Combined applicability domain from multiple AD measures
Compound is inside TEST applicability domains
Consensus predictions
Predictions used in consensus prediction
Method Predicted value log10(mmHg)
Hierarchical clustering -5.52
Group contribution -10.8
Nearest neighbor N/A
Consensus -8.16
Model Performance
Vapor Pressure Model Results Histogram of Vapor Pressure Data
Consensus model statistics
Training (80%) Test (20%)
R2 RMSE MAE Coverage R2 RMSE MAE Coverage
0.97 0.61 0.40 0.98 0.95 0.82 0.50 0.97

Nearest Neighbors from Test Set
* Note: no sufficiently similar chemicals are available
Nearest Neighbors from Training Set
* Note: no sufficiently similar chemicals are available