Figure shows the results of running a target search using ammonia. The pairwise similarity density is strongly peaked around 0 indicating that the solvents are all very different from ammonia. Figure shows the results of running a target search using phenol. The pairwise similarity distribution now has a heavy tail away from zero indicating that the solvents in general are similar to phenol with those in the extremes of the tail being very similar to phenol. In Figure and, the structures for the most and least similar molecule to the target molecule (phenol) as generated by AIMSim are shown. The most similar molecule (Figure ) to phenol is of course phenol itself and the least similar molecule (Figure ) is a branched saturated fluoroalkane which is clearly very different from a phenolic compound.