This folder contains a computational code used for the prediction of CB2-selective compounds in C. Sativa. For more information, please refer to “Virtual screening of C. Sativa constituents for the identification of selective ligands for cannabinoid receptor 2" by Mikołaj Mizera, Dorota Latek, and Judyta Cielecka-Piontek, International Journal of Molecular Sciences 2020.
The main.py file is a python script, which may serve as an example code for the execution of models for desired compounds. Please refer to comments in main.py for more information.