QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (benzo-)triazoles.
Partha Pratim RoySimona KovarichPaola GramaticaPublished in: J. Comput. Chem. (2011)
Keyphrases
- probabilistic model
- statistical models
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- parameter estimation
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- experimental data
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- neural network model
- autoregressive
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