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Reinforced Adversarial Neural Computer for de Novo Molecular Design.
Evgeny Putin
Arip Asadulaev
Yan Ivanenkov
Vladimir Aladinskiy
Benjamín Sánchez-Lengeling
Alán Aspuru-Guzik
Alex Zhavoronkov
Published in:
J. Chem. Inf. Model. (2018)
Keyphrases
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design process
neural network
artificial neural networks
user interface
engineering design
computer architecture
molecular dynamics
artificial intelligence
case study
mathematical modeling