DeepFl-LogP a deep neural lipophilitcity descriptor.
Installation instruction for windows:
Prior installation: make sure to update conda & update conda-build separately.
It's recommended to create a new conda environment, as follow:
conda create --name KarLogP python==3.7
To activate the new environment: >> conda activate KarLogP
Pre-requisites packages (install in the following order):
pip install pandas
pip install tensorflow==1.15
pip install mordred
conda install -c conda-forge rdkit
Once installation is done, use cd to navigate to the script directory.
Run the python script on the Terminal:
python DeepFl-LogP.py
Enter molecule: Please, enter the SMILE code of the compound of interest
DeepFl-LogP = [[value]]
Finished!
When using the DeepFl-LogP tool, Please cite this paper: https://rdcu.be/chxaY