TEST Model Calculation Details: Vapor Pressure

Structural image of 1-PYRROLIDINEPROPANOIC ACID, ALPHA-AMINO-
Chemical Identifiers
Preferred name: 1-PYRROLIDINEPROPANOIC ACID, ALPHA-AMINO-
DTXSID: DTXSID50441444
DTXCID: DTXCID50392265
CASRN: 773825-57-3
Molecular weight: 158.201
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
5.96E-05 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 -4.17
Group contribution -4.28
Nearest neighbor N/A
Consensus -4.22
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