REINVENT conducts multiparameter optimization (MPO) by aggregating over several scoring components 𝑠 𝑖 (𝑥), computed for each molecule/token sequence x, each converted to floating point values between 0 and 1 with an optional transformation function 𝜃 𝑖 , typically a sigmoid function. REINVENT internally maintains a distinction between "penalty", 𝑝, components which are always applied multiplicatively and in unweighted fashion, and "nonpenalty", 𝑛𝑝, components with are aggregated with scalar weights between 0 and 1, 𝑤 𝑖 .