Before revision:  Here, we presented a new 3D small molecule fingerprint, the three-dimensional force fields fingerprint (TF3P) , learned by deep capsular network whose training is in no need of labeled dataset for specific predictive tasks.
After revision:  Here, we unprecedentedly introduce deep learning into 3D small molecule fingerprint, the three-dimensional force fields fingerprint (TF3P) , learned by deep capsular network whose training is in no need of labeled dataset for specific predictive tasks.