where 𝑥 is a sampled linked molecule (or linker), 𝑛 is the number of components in the Scoring Function 𝑆, 𝐶 𝑖 is the score for the 𝑖th component, and 𝑤 𝑖 is the weight for the 𝑖th component. The weighting allows the user to control the relative importance of certain components, where a greater weighting will result in a greater contribution of that component to the Scoring Function. One crucial advantage of Link-INVENT is the flexibility in components that can be specified in the Scoring Function, ranging from physico-chemical properties, structural features, predictive models, and physics-based approximations of binding energy (see Supporting Information for a list of all linker components implemented in Link-INVENT). While the agent is initially identical to the prior, its policy is updated via RL such that the agent is steered to generate molecules that increasingly satisfy the desired MPO objective. Correspondingly, Link-INVENT inference is as follows: