G2GT: Retrosynthesis Prediction with Graph to Graph Attention Neural Network and Self-Training
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.48550/arxiv.2204.08608
Abstract: Retrosynthesis prediction, the task of identifying reactant molecules that can be used to synthesize product molecules, is a fundamental challenge in organic chemistry and related fields. To address this challenge, we propose a novel graph-to-graph… read more here.
Keywords: retrosynthesis prediction; graph; self training; graph graph ... See more keywords