Convolutional architectures for virtual screening

Convolutional architectures for virtual screening

Abstract Background A Virtual Screening algorithm has to adapt to the different stages of this process. Early screening needs to ensure that all bioactive compounds are ranked in the first positions despite of the number of false positives, while a second screening round is aimed at increasing the p...

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Bibliographic Details
Main Authors: Isabella Mendolia, Salvatore Contino, Ugo Perricone, Edoardo Ardizzone, Roberto Pirrone
Format: Article
Language:English
Published: BMC 2020-09-01
Series:BMC Bioinformatics
Subjects:
Deep learning
Drug design
Molecular fingerprints
Bioactivity prediction
Virtual screening
Online Access:http://link.springer.com/article/10.1186/s12859-020-03645-9

Internet

http://link.springer.com/article/10.1186/s12859-020-03645-9

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