ACS Central Science· 2017Q1
Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks
- 1,678citations
- Q1SCImago
- 2017year
Short summary
Recurrent neural networks (RNNs) can generate novel drug-like molecules by learning from existing molecular structures, achieving 14-28% reproduction of test molecules against specific biological targets.
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Computational Theory and MathematicsComputer Science