Enhancing Molecular Representations Via Graph Transformation Layers.

Gao-Peng Ren Ke-Jun Wu Yuchen He

Published in: J. Chem. Inf. Model. (2023)

Keyphrases

graph transformation
case study
machine learning
augmented reality
multiple representations
molecular structures
neural network
genetic algorithm
information systems
bayesian networks
multiscale
symbolic representation
representation scheme
drug discovery
distributed representations
molecular structure