Generative Model for Proposing Drug Candidates Satisfying Anticancer Properties Using a Conditional Variational Autoencoder
Author:
Affiliation:
1. AI Advanced Research Laboratory, Samsung SDS, 56, Sungchon-gil, Seocho-gu, Seoul 06765, South Korea
Publisher
American Chemical Society (ACS)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.acs.org/doi/pdf/10.1021/acsomega.0c01149
Reference47 articles.
1. Advancing Drug Discovery via Artificial Intelligence
2. Inverse QSPR/QSAR Analysis for Chemical Structure Generation (from y to x)
3. A constructive approach for discovering new drug leads: Using a kernel methodology for the inverse-QSAR problem
4. Machine-Learning-Assisted De Novo Design of Organic Molecules and Polymers: Opportunities and Challenges
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