TEST Model Calculation Details: Vapor Pressure

Structural image of Benzene, 1-chloro-4-[(1-methylethyl)thio]-
Chemical Identifiers
Preferred name: Benzene, 1-chloro-4-[(1-methylethyl)thio]-
DTXSID: DTXSID90415881
DTXCID: DTXCID60366730
CASRN: 7205-62-1
Molecular weight: 186.7
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
0.131 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 -0.567
Group contribution -1.20
Nearest neighbor N/A
Consensus -0.884
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: the similar chemicals do not have predicted values

Neighbor values in log10(mmHg)
Test chemical
Measured: N/A
Predicted: -0.884
Structural image of Benzene, 1-chloro-4-[(1-methylethyl)thio...
Benzene, 1-chloro-4-[(1-methylethyl)thio... 		Similarity: 0.66
Measured: -0.314
Predicted: N/A
Structural image of Benzene, (methylthio)-
Benzene, (methylthio)-
Nearest Neighbors from Training Set
* Note: no sufficiently similar chemicals are available