Carregant...

VAE-Sim: A Novel Molecular Similarity Measure Based on a Variational Autoencoder

Molecular similarity is an elusive but core “unsupervised” cheminformatics concept, yet different “fingerprint” encodings of molecular structures return very different similarity values, even when using the same similarity metric. Each encoding may be of value when applied to other problems with obj...

Descripció completa

Guardat en:
Dades bibliogràfiques
Publicat a:Molecules
Autors principals: Samanta, Soumitra, O’Hagan, Steve, Swainston, Neil, Roberts, Timothy J., Kell, Douglas B.
Format: Artigo
Idioma:Inglês
Publicat: MDPI 2020
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC7435890/
https://ncbi.nlm.nih.gov/pubmed/32751155
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules25153446
Etiquetes: Afegir etiqueta
Sense etiquetes, Sigues el primer a etiquetar aquest registre!