Computational techniques were used to screen twenty-seven metformin-derivatives for their antidiabetic potency. Forty-five different filters (related to physicochemical Properties, Drug-likeness, Phar
Performance for different ratios between the positive and the negative cases in the training set. This file shows the performance on a balanced test set as a function of the ratio of positive and nega
PanDDA analysis group deposition -- SARS-CoV-2 Nsp1 crystal A01 (dataset 1) from the KIT library screening campaign, data used for ground state calculation Descriptor: Host translation inhibitor nsp1
