$\mathsf{G^2Retro}$ as a Two-Step Graph Generative Models for Retrosynthesis Prediction

1 code implementation • 10 Jun 2022 • Ziqi Chen, Oluwatosin R. Ayinde, James R. Fuchs, Huan Sun, Xia Ning

It first predicts the reaction centers in the target molecules (products), identifies the synthons needed to assemble the products, and transforms these synthons into reactants.

Retrosynthesis Vocal Bursts Valence Prediction