AI for drug design: From explicit rules to deep learning

Author:

Mervin LewisORCID,Genheden Samuel,Engkvist Ola

Publisher

Elsevier BV

Subject

General Medicine

Reference24 articles.

1. Deep learning;LeCun;Nature,2015

2. Proceedings of the 25th International Conference on Neural Information Processing Systems - Volume 1;Krizhevsky,2012

3. De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks;Schneider;J Comput-Aided Mol Des,2000

4. Generating focused molecule libraries for drug discovery with recurrent neural networks;Segler;ACS Cent Sci,2018

5. 970 Million druglike small molecules for virtual screening in the chemical universe database GDB-13;Blum;J Am Chem Soc,2009

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