We then computed the EVP descriptors for the dataset, with the results presented in Figure . Figure exemplifies the probability distributions of the most common EVPs, with [2], [2,6], and [2,3,6] being the most exploited patterns within the indole dataset for mono-, di-, and tri-substitutions, respectively. When it comes to the diverse sampling of compounds for testing, it might be possible to include an example of each EVP for the scaffold of interest, in a simple setting. This may mitigate the possibility of missing any potent compound owing to bias towards specific EVPs. However, when dealing with large compound sets, one can envisage using a stochastic selection process to prioritize the inclusion of rarely occurring EVPs in the final selection. The probability of a given EVP occurring within a set of compounds is defined as: