Comparison of ACD/Percepta Profilers and Predictors

Features Profilers Predictors
Obtain physicochemical and ADME/Tox predictions based on ACD/Labs' industry-standard prediction algorithms * *
Screen and prioritize multiple compound libraries using available predictions
Evaluate Structure-Property relationships with easy to interpret predictions
Allows import of chemical data from a variety of formats for multiple structures (*.SDF, *.RDF *.TXT *.CSV), single structures (*.CDX, *.MOL, *.SK2, *.SKC), as well as SMILES
Get an understanding of the quality of predictions with Reliability Index (RI) values
Assess the influences of individual atoms and functional groups on the overall value of the predicted property with color-coded contribution maps
Identify the presence of the structural fragments responsible for hazardous activity
View calculation protocols for prediction of the main physicochemical properties
Compare predictions with experimental results for similar structures from the training set
Access browsable reference databases (including logP, aqueous solubility, absorption, bioavailability, P-gp substrates, Absolv, and mutagenicity)
Train most of the models with your own experimental values to augment the prediction accuracy for the novel chemical classes of your in-house compounds
Add Structure Design Engine to expand your chemical space with the full range of interactively generated analogs with favorable ADME/Tox profiles ** **

* For ACD/Percepta Profilers, two products are available (PhysChem Profiler and Drug Profiler), offering broad array of predicted values. For ACD/Percepta Predictors, the availability of calculated properties and end points is defined by your choice of predictive packages and modules.
** Requires Structure Design Engine.

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