These findings underline the shortcomings of approaches based on simple motifs for prediction of peptide binding affinities, and provide a rationale for the use of more sophisticated and insightful alternative approaches such as the QSAR-based method employed in this study.
Judith Madden (LJMU) demonstrated the use and limitations of in silico tools for predicting ecotoxicity of pharmaceuticals, including predictions based on simple physico-chemical properties, as well as tools for grouping compounds into categories to allow for read-across.
The controllers are based on simple algorithms (nonlinear P-control, simple prediction models) which can be implemented in standard programmable logic controllers (PLCs).
The predictions, based on simple average or the median of the ensemble members, combined with the weighted ensemble forecasts provide improved estimates of probable streamflow ranges and the uncertainty bounds.
The description of the rocking mechanism activated in the specimen and the related tie rod tension modification during the test are described in detail and the test results are compared with analytical predictions based on simple equilibrium equations.
We did not find any explanation for incorrect gene essentiality predictions based on simple statistics such as rudimentary network size metrics.
Our results show that predictions based on simple kinetics fail to reproduce the behavior of low-affinity binders under flow, suggesting that typical SELEX processes based on theoretical kinetics are likely to be far from optimal.
This was already observed in numerical results obtained from data-driven modeling approaches and in analytical predictions based on simple homogeneous mixing among individuals within the subpopulation of the system [ 28, 46, 50, 57- 60].
That is, response behavior to natural input can deviate significantly from predictions based on simple parameterized stimuli, probably due to the extensive spatial context in natural images (see Carandini et al. 2005; Olshausen and Field 2005 for reviews).
