Unified 2D and 3D Pre-Training of Molecular Representations.

Jinhua Zhu Yingce Xia Lijun Wu Shufang Xie Tao Qin Wengang Zhou Houqiang Li Tie-Yan Liu

Published in: KDD (2022)

Keyphrases

training phase
three dimensional
training set
supervised learning
database
real world
support vector
test set
information systems
feature selection
website
active learning
training algorithm
unified model