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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...
में बचाया:
| में प्रकाशित: | J Cheminform |
|---|---|
| मुख्य लेखकों: | , , , |
| स्वरूप: | Artigo |
| भाषा: | Inglês |
| प्रकाशित: |
Springer International Publishing
2016
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| विषय: | |
| ऑनलाइन पहुंच: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5395519/ https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-016-0182-y |
| टैग : |
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