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Analysis of the effects of related fingerprints on molecular similarity using an eigenvalue entropy approach
Two-dimensional (2D) chemical fingerprints are widely used as binary features for the quantification of structural similarity of chemical compounds, which is an important step in similarity-based virtual screening (VS). Here, using an eigenvalue-based entropy approach, we identified 2D fingerprints...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7989080/ https://www.ncbi.nlm.nih.gov/pubmed/33757582 http://dx.doi.org/10.1186/s13321-021-00506-2 |