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Leveraging the language of chemistry for de novo molecular design
[thesis]
2022
Preserved Fulltext
R sum 1. Introduction 1.1 The exponential cost of drug discovery 1.2 De novo molecular design 1.3 Generative deep learning 1.3.1 Deep learning 1.3.2 Recurrent neural networks 1.3.3 Deep generative models 1.4 Chemical language models 2. Aim of the thesis 3. Generative molecular design in low data regimes Generative molecular design in low data regimes Abstract Introduction Results and Discussion Conclusions Methods Code and data availability. Acknowledgements 4. Beam search for automated design
doi:10.3929/ethz-b-000538011
fatcat:maxbarpieffbvf4x5av5nmh7he