Tools to aid the decision-making process should not be black boxes. Users must be able to interact with the analysis, challenging the decision-making process, and investigate the trade-offs in their compounds, guided throughout by an objective view of the data relative to their goals. Furthermore, this interaction must be accessible and intuitive to encourage creative exploration.
In order to improve the efficiency and productivity of drug discovery, however, it is crucial to go beyond gathering and visualizing data to maximize its impact on good decision making. Software that guides decisions, such as StarDrop, provides a rigorous approach that encourages objective consideration of all of the available information, helping scientists to overcome human cognitive biases to make decisions that are both balanced and rational. This, in turn, helps drug discovery scientists to quickly and confidently target areas of chemistry likely to yield compounds with a good balance of properties and a high chance of downstream success.