PhysChem and ADME-Tox Prediction

ACD/Labs' algorithms have been the industry-leading models used by computational chemists around the world for more than a decade. The Percepta platform offers a uniform interface for the prediction of ADME, toxicological, and physicochemical property endpoints, and offers a single interface for the analysis and interpretation of predicted data.

Predictors

Expert prediction modules provide in-depth understanding of structure-property relationships. The majority of the algorithms can be trained to better reflect proprietary chemical space for even better prediction accuracy and higher relevance to individual projects. Conveniently include your own algorithms too.

Profilers

Quickly screen and profile compounds for a range of PhysChem and ADMET properties. Color-coded thresholds facilitate interpretation to help focus efforts on compounds with desired characteristics.

Batch

Use Batch predictor modules to process thousands of compounds efficiently with minimal operator intervention. Plug in to workflow tools so your entire chemistry community can benefit from ACD/Labs’ expert algorithms.