ACD/DMSO Solubility

Software for the prediction of solubility in DMSO solution.

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