Automated Generation of Novel Fragments Using Screening Data, a Dual SMILES Autoencoder, Transfer Learning and Syntax Correction
Author:
Affiliation:
1. Beatson Drug Discovery Unit, Cancer Research UK Beatson Institute, Garscube Estate, Switchback Road, Bearsden, Glasgow, G61 1BD, U.K.
2. BioAscent Discovery Ltd., Bo’Ness Road, Newhouse, Lanarkshire ML1 5UH, U.K.
Funder
Cancer Research UK
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c01226
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