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Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.
ACS Cent Sci. 2018 Feb 28;4(2):268-276. doi: 10.1021/acscentsci.7b00572. Epub 2018 Jan 12.
ACS Cent Sci. 2018.
PMID: 29532027
Free PMC article.
Neural Networks for the Prediction of Organic Chemistry Reactions.
Wei JN, Duvenaud D, Aspuru-Guzik A.
Wei JN, et al. Among authors: duvenaud d.
ACS Cent Sci. 2016 Oct 26;2(10):725-732. doi: 10.1021/acscentsci.6b00219. Epub 2016 Oct 14.
ACS Cent Sci. 2016.
PMID: 27800555
Free PMC article.
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Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach.
Gómez-Bombarelli R, Aguilera-Iparraguirre J, Hirzel TD, Duvenaud D, Maclaurin D, Blood-Forsythe MA, Chae HS, Einzinger M, Ha DG, Wu T, Markopoulos G, Jeon S, Kang H, Miyazaki H, Numata M, Kim S, Huang W, Hong SI, Baldo M, Adams RP, Aspuru-Guzik A.
Gómez-Bombarelli R, et al. Among authors: duvenaud d.
Nat Mater. 2016 Oct;15(10):1120-7. doi: 10.1038/nmat4717. Epub 2016 Aug 8.
Nat Mater. 2016.
PMID: 27500805
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Compositional inductive biases in function learning.
Schulz E, Tenenbaum JB, Duvenaud D, Speekenbrink M, Gershman SJ.
Schulz E, et al. Among authors: duvenaud d.
Cogn Psychol. 2017 Dec;99:44-79. doi: 10.1016/j.cogpsych.2017.11.002. Epub 2017 Nov 16.
Cogn Psychol. 2017.
PMID: 29154187
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