Scaffold-based molecular design with a graph generative model
Author:
Affiliation:
1. Department of Chemistry
2. KAIST
3. Daejeon 34141
4. Republic of Korea
5. School of Computing
6. KI for Artificial Intelligence
Abstract
We propose a scaffold-based graph generative model for designing novel drug candidates that include the desired scaffold as a substructure.
Funder
National Research Foundation of Korea
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2020/SC/C9SC04503A
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