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A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: reliability-density neighbourhood
The ability to define the regions of chemical space where a predictive model can be safely used is a necessary condition to assure the reliability of new predictions. This implies that reliability must be determined across chemical space in the attempt to localize “safe” and “unsafe” regions for pre...
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| 出版年: | J Cheminform |
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| 主要な著者: | , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
Springer International Publishing
2016
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5395519/ https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-016-0182-y |
| タグ: |
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