Deep-learning-based inverse design model for intelligent discovery of organic molecules-Reference-Cited by-同舟云学术

Deep-learning-based inverse design model for intelligent discovery of organic molecules

Published:2018-12 Issue:1 Volume:4 Page:
ISSN:2057-3960
Container-title:npj Computational Materials
language:en
Short-container-title:npj Comput Mater

Author:

Kim Kyungdoc,Kang Seokho,Yoo Jiho,Kwon Youngchun,Nam Youngmin,Lee Dongseon,Kim Inkoo,Choi Youn-Suk,Jung Yongsik,Kim Sangmo,Son Won-Joon,Son Jhunmo,Lee Hyo Sug,Kim Sunghan,Shin Jaikwang,Hwang Sungwoo

Publisher

Springer Science and Business Media LLC

Subject

Computer Science Applications,Mechanics of Materials,General Materials Science,Modeling and Simulation

Link

http://www.nature.com/articles/s41524-018-0128-1.pdf

Reference43 articles.

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2. Schneider, G. Virtual screening: An endless staircase? Nat. Rev. Drug Discov. 9, 273–276 (2010).

3. Gómez-Bombarelli, R. et al. Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach. Nat. Mater. 15, 1120–1127 (2016).

4. Shoichet, B. K. Virtual screening of chemical libraries. Nature 432, 862–865 (2004).

5. Curtarolo, S. et al. The high-throughput highway to computational materials design. Nat. Mater. 12, 191–201 (2013).

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