XSMILES: interactive visualization for molecules, SMILES and XAI attribution scores

BACKGROUND: Explainable artificial intelligence (XAI) methods have shown increasing applicability in chemistry. In this context, visualization techniques can highlight regions of a molecule to reveal their influence over a predicted property. For this purpose, some XAI techniques calculate attributi...

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Detalles Bibliográficos
Autores principales: Heberle, Henry, Zhao, Linlin, Schmidt, Sebastian, Wolf, Thomas, Heinrich, Julian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Software
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9817292/
https://www.ncbi.nlm.nih.gov/pubmed/36609340
http://dx.doi.org/10.1186/s13321-022-00673-w

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9817292/
https://www.ncbi.nlm.nih.gov/pubmed/36609340
http://dx.doi.org/10.1186/s13321-022-00673-w

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