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Exploring Chemical Reaction Space with Reaction Difference Fingerprints and Parametric t-SNE
[Image: see text] Humans prefer visual representations for the analysis of large databases. In this work, we suggest a method for the visualization of the chemical reaction space. Our technique uses the t-SNE approach that is parameterized using a deep neural network (parametric t-SNE). We demonstra...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8600617/ https://www.ncbi.nlm.nih.gov/pubmed/34805702 http://dx.doi.org/10.1021/acsomega.1c04778 |