Description
PaDEL-DDPredictor is an easy to use application to calculate the absorption, distribution, metabolism, excretion and toxicological (ADMET) properties of chemical compounds.
Select the directory containing the molecules' structural files. Most common file formats (e.g. MDL mol, SMILES) are supported but the recommended file format is MDL mol.
Select a file to save the predicted ADMET properties to. The ADMET properties will be saved in comma separated value (CSV) file format. The first row is the header row. Subsequent rows will contain the predicted ADMET properties for one molecule per row. The first column is the molecule's name, which is either obtained from the structural file or autogenerated (will be prefixed with AUTOGEN_ followed by the file name). Subsequent columns are the ADMET properties for the molecules.
PaDEL-DDPredictor is written in the Java programming language and can be run on Mac OS X, Windows and Linux.
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PaDEL-DDPredictor FOR MAC is a user-friendly tool for predicting ADMET properties of chemical compounds. Supports common file formats and generates CSV output.