Another use case for the EVP methodology is compound diversity sampling. In this section, diversity is defined as the degree of variation among exit vectors and substituents around a scaffold. The EVP information can be used to quickly provide a convenient method by which to perform an EVPbased diversity selection of compounds. In hit expansion, medicinal chemists frequently face the challenge of selecting a diverse sample of compounds to buy or to synthesize among structurally related analogs of identified hit matter. Yet, this sampling process can be subject to biases stemming from various factors. While cost and synthetic accessibility are often practical considerations, additional factors may include the chemist's personal inclinations or evaluations based on available structure-based models. EVP information offers an objective and rapid way to select compounds based on explored patterns, facilitating compound diversity sampling.