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Drug Discovery
- The rise of deep learning in drug discovery: https://doi.org/10.1016/j.drudis.2018.01.039
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De novo design
- RNN 계열
- Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks
- Generative Recurrent Networks for De Novo Drug Design
- REINVENT: Molecular De Novo Design through Deep Reinforcement Learning
- GAN 계열
- ORGAN
- ORGANIC
- Graph 계열
- Geometric deep learning: going beyond Euclidean data
- Deeply learning molecular structure-property relationships using graph attention neural network