Java tool to calculate various properties for chemical compounds. #Calculate absorption #Chemical compound calculator #Chemical compound calculation #Calculate #Chemical compound #Absorption
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.
System requirements
What's new in PaDEL-DDPredictor 2.1:
- Updated software to check http://www.yapcwsoft.com for updates.
PaDEL-DDPredictor 2.1
add to watchlist add to download basket send us an update REPORT- runs on:
- Mac OS X (-)
- file size:
- 3.1 MB
- filename:
- PaDEL-DDPredictor.zip
- main category:
- Math/Scientific
- developer:
- visit homepage
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