De Novo Molecule Design by Translating from Reduced Graphs to SMILES.

Peter Pogány Navot Arad Sam Genway Stephen D. Pickett

Published in: J. Chem. Inf. Model. (2019)

Keyphrases

engineering design
information systems
user interface
design process
design decisions
neural network
knowledge base
software architecture
graph theory
graph mining
graph theoretic
design space