Batch Modules for PhysChem, ADME, and Toxicity Predictions

Generate fast and accurate predictions for tens of thousands of compounds in one batch.

ACD/Labs' Batch modules employ the ALP (Algorithm Launching Pack) batch server to provide tens of thousands of predictions for compounds with minimal operator intervention. To increase the accuracy of predictions for any set of structures, many modules offer the capability to train predictive models with in-house experimental data, extending the model’s domain of applicability (see individual desktop product information for trainable modules).

There are no inherent limits to the number of predictions that can be carried out. The PhysChem, ADME, and Toxicity batch modules are available for Microsoft Windows and may be run from the Windows command line. The PhysChem batch module is additionally supported on Linux platforms.

See the full list of physicochemical and molecular properties available for prediction:

See the full list of modules available for prediction of ADME properties.

See the full list of modules available for prediction of toxicity endpoints.

For more information about individual modules see the desktop product—ACD/PhysChem Suite, ACD/DMSO Solubility, ACD/ADME Suite, ACD/Tox Suite.

Compatible File Formats for Import/Export

Module	Format
PhysChem Batch Modules	*.sdf, *.rdf, *.txt, *.csv
ADME Batch Modules	*.sdf, *.rdf, *.txt
Tox Batch Modules	*.sdf, *.rdf, *.txt