Enhanced Template-Free Reaction Prediction with Molecular Graphs and Sequence-based Data Augmentation.

Haozhe Hu Yongquan Jiang Yan Yang Jim X. Chen

Published in: CIKM (2023)

Keyphrases

data sets
data processing
training data
data collection
knowledge discovery
high quality
data structure
data analysis
data sources
database
data quality
data objects
raw data
historical data
matching algorithm
synthetic data
prediction accuracy
input data
image data
data points