OpenEye Scientific Software

 

Why are there multiple experiments for each data set?

We believe that the access to relevant and blinded data is a great opportunity. We desire to make the most of this opportunity while not unduly burdening participants. For each data set, we wanted to assess the techniques: Virtual Screening, Pose Prediction and Affinity Prediction. In each category we limited ourselves to a few experiments that will allow comparison of results when differing amount of information is given to participants. We hope that by this experimental design, we will learn not only which techniques perform well, but also how dependent that performance is upon specific pieces of information.

While this may seem like a plethora of experiments, we left many more interesting plans for future years.