Several attempts have been made to automate some parts of the docking process over the past 14 years , a few of which have web interfaces . While many of these computational pipelines excel at automating the routine aspects of generating docking models, they usually lack the capability to integrate the nuanced practices of evaluation and optimization that experts commonly apply in the preparation of models for large-scale screening . As both evaluation and optimization are essential for developing models that can reliably distinguish between binding and non-binding compounds , integrating them into these pipelines represents a crucial milestone toward automating the specialized skills of docking experts.