Concepedia

Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning

Jike Wang, Chang‐Yu Hsieh, Mingyang Wang, Xiaorui Wang, Dejun Jiang, Benben Liao, Xujun Zhang, Bo Yang, Qiaojun He, Dongsheng Cao,

Nature Machine Intelligence · 2021 · 203 citations · 41 references

DOI

Concepts

References

41

Random Forests

Leo Breiman · Machine Learning · 2001 · 126.2K citations · Full text

Scikit-learn: Machine Learning in Python

Fabián Pedregosa, Gaël Varoquaux, Alexandre Gramfort et al. · arXiv (Cornell University) · 2012 · 63.7K citations · Full text

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Learning Phrase Representations using RNN Encoder–Decoder for Statistical Machine Translation

Kyunghyun Cho, Bart van Merriënboer, Çağlar Gülçehre et al. · 2014 · 24.4K citations · Full text

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Distilling the Knowledge in a Neural Network

Geoffrey E. Hinton, Oriol Vinyals · arXiv (Cornell University) · 2015 · 14K citations · Full text

, , +15

Extended-Connectivity Fingerprints

David Rogers, Mathew Hahn · Journal of Chemical Information and Modeling · 2010 · 7.6K citations

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