1. With each fine-tuned model and per each target, we predicted the likelihoods (equation ( )) of the SMILES strings in the respective test set. The considered test sets resemble a real-world scenario in terms of hit-rate, and they comprise 9 (mTORC) to 54 active molecules (PKM2) and 10,240 inactive molecules (except for TP53, containing 3,301 inactive molecules, Table );