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Confidence limits, error bars and method comparison in molecular modeling. Part 2: comparing methods
The calculation of error bars for quantities of interest in computational chemistry comes in two forms: (1) Determining the confidence of a prediction, for instance of the property of a molecule; (2) Assessing uncertainty in measuring the difference between properties, for instance between performan...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4796392/ https://www.ncbi.nlm.nih.gov/pubmed/26942422 http://dx.doi.org/10.1007/s10822-016-9904-5 |