EMBER—Embedding Multiple Molecular Fingerprints for Virtual Screening

EMBER—Embedding Multiple Molecular Fingerprints for Virtual Screening

In recent years, the debate in the field of applications of Deep Learning to Virtual Screening has focused on the use of neural embeddings with respect to classical descriptors in order to encode both structural and physical properties of ligands and/or targets. The attention on embeddings with the...

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Bibliographic Details
Main Authors: Isabella Mendolia, Salvatore Contino, Giada De Simone, Ugo Perricone, Roberto Pirrone
Format: Article
Language:English
Published: MDPI AG 2022-02-01
Series:International Journal of Molecular Sciences
Subjects:
deep learning
drug design
virtual screening
embedding
Online Access:https://www.mdpi.com/1422-0067/23/4/2156

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