A critical step in applying a computational approach for drug discovery under the new outbreak situation

The urgency of the drug discovery against viral infection is raising after the emergence of 2019 new coronavirus epidemic in China. The traditional drug discovery requires years of operation. Therefore, the fast-track strategy has been proceeded by applying a computer- based approach. However, the correlation between this approach and its biological activity is a great concern. The aim of this study is to provide an awareness of this correlation.