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Exploring chemical compound space with quantum-based machine learning

O. Anatole von Lilienfeld, Klaus‐Robert Müller, Alexandre Tkatchenko

Nature Reviews Chemistry · 2020 · 12 citations · 138 references

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References

138

ImageNet: A large-scale hierarchical image database

Jia Deng, Wei Dong, Richard Socher et al. · 2009 IEEE Conference on Computer Vision and Pattern Recognition · 2009 · 61.8K citations

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Mastering the game of Go with deep neural networks and tree search

David Silver, Aja Huang, Chris J. Maddison et al. · Nature · 2016 · 15.8K citations

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"Why Should I Trust You?"

Marco Túlio Ribeiro, Sameer Singh, Carlos Guestrin · 2016 · 15.2K citations

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UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Anthony K. Rappé, C. J. Casewit, K. S. Colwell et al. · Journal of the American Chemical Society · 1992 · 10.4K citations

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Bonded-atom fragments for describing molecular charge densities

F. L. Hirshfeld · Theoretical Chemistry Accounts · 1977 · 6.9K citations

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