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Dataset Modelability by QSAR
We introduce a simple MODelability Index (MODI) that estimates the feasibility of obtaining predictive QSAR models (Correct Classification Rate above 0.7) for a binary dataset of bioactive compounds. MODI is defined as an activity class-weighted ratio of the number of the nearest neighbor pairs of c...
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| Autores principales: | , , , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
2014
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3984298/ https://ncbi.nlm.nih.gov/pubmed/24251851 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci400572x |
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