A parametric approach for molecular encodings using multilevel atomic neighborhoods applied to peptide classification

Exploring new ways to represent and discover organic molecules is critical to the development of new therapies. Fingerprinting algorithms are used to encode or machine-read organic molecules. Molecular encodings facilitate the computation of distance and similarity measurements to support tasks such...

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Detalles Bibliográficos
Autores principales: Hattab, Georges, Anžel, Aleksandar, Spänig, Sebastian, Neumann, Nils, Heider, Dominik
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2023
Materias:
Methods Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9830542/
https://www.ncbi.nlm.nih.gov/pubmed/36632611
http://dx.doi.org/10.1093/nargab/lqac103

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9830542/
https://www.ncbi.nlm.nih.gov/pubmed/36632611
http://dx.doi.org/10.1093/nargab/lqac103

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