ACD/Absolv :: Predict Abraham solvation parameters to calculate solvation–associated properties from structure :: Percepta Predictors
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ACD/Absolv

Predict Abraham solvation parameters to calculate solvation–associated properties from structure

The Absolv prediction module calculates Abraham solvation parameters and is the result of collaboration between ACD/Labs and Prof. M. H. Abraham—the original author of this six parameter system.

About the Model

Data Source—personal communication with Prof. M. H. Abraham

Training set size:

Abraham Solvation Parameter # of Compounds
A 5719
B 5510
B0 5507
S 5522
L 5199
V 5537
E 5631

Prediction accuracy and model performance:

Abraham Solvation Parameter R2 RMSE
A (N = 5,719*) 0.92 0.07
B (N = 5,510*) 0.91 0.15
B0 (N = 5,507*) 0.91 0.15
L (N = 5,199*) 0.98 0.41
S (N = 5,522*) 0.89 0.22
E (N = 5,631*) 0.98 0.12
V (N = 5,537*) 1.00 0.01

Read about the prediction accuracy of the model

Percepta Predictor Suites

The Percepta prediction modules are available as bundles to offer cost savings for multiple modules, and provide related modules as a package.

Deployment Options

ACD/Absolv Model predictions are available as a browser-based thin client application on Percepta Portal; a thick client product (Percepta for the Desktop); and a batch calculator (Percepta Batch).

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