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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...
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| Опубликовано в: : | J Cheminform |
|---|---|
| Главные авторы: | , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
Springer International Publishing
2021
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7989080/ https://ncbi.nlm.nih.gov/pubmed/33757582 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-021-00506-2 |
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