Hunting for Organic Molecules with Artificial Intelligence: Molecules Optimized for Desired Excitation Energies

[Image: see text] This work presents a proof-of-concept study in artificial-intelligence-assisted (AI-assisted) chemistry where a machine-learning-based molecule generator is coupled with density functional theory (DFT) calculations, synthesis, and measurement. Although deep-learning-based molecule...

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Bibliografske podrobnosti
izdano v:ACS Cent Sci
Main Authors: Sumita, Masato, Yang, Xiufeng, Ishihara, Shinsuke, Tamura, Ryo, Tsuda, Koji
Format: Artigo
Jezik:Inglês
Izdano: American Chemical Society 2018
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC6161049/
https://ncbi.nlm.nih.gov/pubmed/30276245
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acscentsci.8b00213
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