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During the latter, small modifications of molecule's conformation are allowed to enable and optimize the fitting of the molecule into the model.
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Then when needed, further manual adjustments were performed to optimize the fitting of the CBA contours to both external and internal (brain ventricles) borders.
In order to optimize the fitting of the compound into the binding site, it was minimized using the MMFF94 force field implemented in LigandScout 3.02.
Dr. Ledley set out to optimize the fitting of dentures by determining the mean slope of each tooth relative to the surface of the piece of food being chewed.
Each response variable was log-transformed to optimize the fitting of residuals to the normal distribution.
Offs and f help to optimize the fitting by accounting for binding modes involving different numbers of sites.
In order to optimize the fitting procedure, we performed a two-step parameter set analysis.
Cross-validation has been widely used for selecting tuning parameters and optimizing the number of selected genes in the context of building classifiers to avoid over-fitting.
This approach employs Particle Swarm Optimization (PSO) as an intelligent optimization algorithm to optimize the parameters of the ARIMA model, which develops a hybrid model that is best adapted to the data set, increasing the fitting accuracy and avoiding over-fitting.
To optimize the parameters of the model to the experimental data, a standard fitting procedure was applied.
Two commonly used summary statistics of the model residuals, MSE and MSEL, are used to optimize fitting of the model to both the peaks and the recession periods of the time series data.
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