This method adapts the MPO objective to match the chemist's goal by estimating its parameters from iterative simple feedback, in the setup depicted in Figure . We assume that a chemist inspects a molecule 𝑥 ∈ ℳ, where ℳ is the set of all valid molecules, evaluates it based on their tacit inner scoring function modelled with 𝑆(𝑥), 𝑆: ℳ → [0,1], and gives binary feedback 𝑦 ∈ {0,1}. Here 𝑦=1 means that the molecule is good for their purpose and 𝑦=0 that it is not. In addition, we make the simplifying assumptions that 𝑆 is stationary and deterministic. The scores of the scoring components are aggregated using an aggregation method from eq. ( ) or (2), assuming known weights 𝑤 𝑘 , with a constraint that ∑ 𝑤 𝑘 = 1 𝐾 𝑘=1