Sign in

Discovering Molecular Functional Groups Using Graph Convolutional Neural Networks

By Phillip Pope and others
Functional groups (FGs) serve as a foundation for analyzing chemical properties of organic molecules. Automatic discovery of FGs will impact various fields of research, including medicinal chemistry, by reducing the amount of lab experiments required for discovery or synthesis of new molecules. Here, we investigate methods based on graph convolutional... Show more
December 6, 2018
=
0
Loading PDF…
Loading full text...
Similar articles
Loading recommendations...
=
0
x1
Discovering Molecular Functional Groups Using Graph Convolutional Neural Networks
Click on play to start listening