ConvPred_data
Published in Figshare • Jan 1, 2022
NobleIDNI8P62W50R87S55
Authors:
Wenlong Wang
Abstract
The file "USPTO_DUT_Wang.xlsx" contains the reactions that are extracted from the USPTO 1976-2016 databse. It only contains the reactions that are in the form of A+B>C to make sure all the reactions are compatible with our convolutional algorithm. We used sigma-profiles and ECFP4 to train two differ...
Subject
Finding related papers...
Discussions
(0)No comments yet
Be the first to share your thoughts!