Plasma Protein Binding Rate Prediction Software (Artificial Neural Network based)

Usage: python PPB_calculate.py filename

Example: "$python PPB_calculate.py examples/example.mol2". The sample's PPB value is 35.

Supported format (mol, mol2, sdf, smi, etc.)

Make sure you have the following libraries: Python, Openbebel python binder and ©Matlab Compiler Runtime

Tested on Ubuntu 14.04 (To install the libraries run "apt-get install python, python-openbabel")