PaDEL-Descriptor 2.14

Developer: License / Price: Size / OS: Last Updated: Category: Yap Chun Wei | More programs Freeware / $0 2 KB / Windows All December 12th, 2012, 01:58 UTC [view history] C: \ Science / CAD

PaDEL-Descriptor is designed as a handy utility that can help you perform molecular calculations.

PaDEL-Descriptor manages to calculate 863 descriptors (729 1D, 2D descriptors and 134 3D descriptors) and 10 types of fingerprints.

Requirements:

· Java

What's New in This Release: [ read full changelog ]

· Bug fixes for mol2 files.
· Added option to restrict maximum descriptor calculation time for a molecule.
· Developed KNIME nodes for PaDEL-Descriptor.
· Updated CDK library to 1.4.15.

Via: PaDEL-Descriptor 2.14