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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2023
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| Materias: | |
| 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 |