ACD/PhysChem Batch

Input/Output

ACD/PhysChem Batch processes chemical databases and files such as MDL SDfile, SMILES text file, ISIS database, or ACD/ChemFolder database, and reports the generated physicochemical properties into the same or to a new file in ISIS (*.DB), *.SDfile, ACD/ChemFolder (*.CFD), or text (*.TXT) format.

ACD/PhysChem Batch is very straightforward. The structural information contained in the imported file is sufficient to carry out the prediction. The program allows you to set the calculation options (e.g., pH values for logD predictions). If you need to stop processing when the batch is only partially done, ACD/PhysChem Batch will store the results in a temporary file that you can access part way through processing.