Machine learning enabled identification of potential SARS-CoV-2 3CLpro inhibitors based on fixed molecular fingerprints and Graph-CNN neural representations

Publication date: Available online 28 May 2021Source: Journal of Biomedical InformaticsAuthor(s): Jacek Haneczok, Marcin Delijewski
Source: Journal of Biomedical Informatics - Category: Information Technology Source Type: research