ACD/DMSO Solubility
Software for the prediction of solubility in DMSO solution.
Now Shipping on the New ACD/Percepta Platform
With the release of our version 2012 software, our PhysChem, ADME, and Tox tools have been migrated to the new ACD/Percepta platform.
Equivalent functionality to ACD/DMSO Solubility can now be found in ACD/Labs Percepta Predictors.
Existing software users, review our Release Version 2012 Information or contact ACD/Labs to discuss migration plans.
This product was retired in June 2012; as per our End-of-Life Policy, technical support will be provided until June 2014.
ACD/DMSO Solubility predicts the probability that an organic compound will be soluble in DMSO solution.
Features
- Predict solubility in DMSO from structure at greater or less than 20 mM, with reliability index
- View up to 5 of the most similar structures in the training set
- Batch module facilitates calculation of large compound collections
- Train the model with your own experimental data to extend chemical space coverage (the applicability domain) and improve prediction accuracy for proprietary compounds.
Benefits
- Identify the compounds that may cause erratic results in compound screening and biological assays
- Eliminate compounds from your project that will not allow the use of standard testing protocols
- Add your data to the model to easily build a customized model based on your chemical space
Additional Information
Import/Export
Import SDfile or SMILES
Export to SDfile, or copy and paste into Microsoft Excel
Information about internal databases
The internal training set of ACD/DMSO Solubility contains data from >15,500 compounds
The software also provides a reference database of >22,200 compounds
