ghosecrippen module¶

This module is to calculate the ghosecrippen descriptor. If you

have any question please contact me via email.

Authors: Zhijiang Yao and Dongsheng Cao.

Date: 2016.06.04

ghosecrippen.GhoseCrippenFingerprint(mol, count=False)[source]¶

Ghose-Crippen substructures or counts based on the definitions of

SMARTS from Ghose-Crippen’s paper. (110 dimension)