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Machine learning-based chemical binding similarity using evolutionary relationships of target genes
Chemical similarity searching is a basic research tool that can be used to find small molecules which are similar in shape to known active molecules. Despite its popularity, the retrieval of local molecular features that are critical to functional activity related to target binding often fails. To o...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6846180/ https://www.ncbi.nlm.nih.gov/pubmed/31504818 http://dx.doi.org/10.1093/nar/gkz743 |