Accuracy of scoring functions

An additional role of the model evaluation methods is to help in the actual modeling procedure. In principle, an improvement in the accuracy of a model is possible by incorporating the quality criteria into a scoring function being optimized to derive the model in the first place. 

As long as the virtual structure-based screening procedure identifies compound proposals that can be realized and tested in a short period of time, the accuracy lacking in the scoring functions can be compensated and finally validated by the biophysical screening experiment itself. 

Accuracy. Accuracy has been measured in a number of ways, but an accurate scoring function attempts to minimize the difference between the calculated AGbmd and the experimentally determined figure, or the RMSD between the virtual and the experimental poses, or both. 

---