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Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach.
Nat Mater. 2016 Oct;15(10):1120-7. doi: 10.1038/nmat4717. Epub 2016 Aug 8.
Nat Mater. 2016.
PMID: 27500805
Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.
Gómez-Bombarelli R, Wei JN, Duvenaud D, Hernández-Lobato JM, Sánchez-Lengeling B, Sheberla D, Aguilera-Iparraguirre J, Hirzel TD, Adams RP, Aspuru-Guzik A.
Gómez-Bombarelli R, et al. Among authors: duvenaud d.
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.
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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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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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