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Exploring non-linear distance metrics in the structure–activity space: QSAR models for human estrogen receptor
BACKGROUND: Quantitative structure-activity relationship (QSAR) models are important tools used in discovering new drug candidates and identifying potentially harmful environmental chemicals. These models often face two fundamental challenges: limited amount of available biological activity data and...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6755572/ https://www.ncbi.nlm.nih.gov/pubmed/30229396 http://dx.doi.org/10.1186/s13321-018-0300-0 |