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QSAR with experimental and predictive distributions: an information theoretic approach for assessing model quality
We propose that quantitative structure–activity relationship (QSAR) predictions should be explicitly represented as predictive (probability) distributions. If both predictions and experimental measurements are treated as probability distributions, the quality of a set of predictive distributions out...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer Netherlands
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3639359/ https://www.ncbi.nlm.nih.gov/pubmed/23504478 http://dx.doi.org/10.1007/s10822-013-9639-5 |