The DataWarrior (DW) program written in java and updated was downloaded () following the details for the Windows version (dw550win.zip for Windows), as described before 1, 42 (Supplementary Materials / DWBEL.mp4). The DW/Chemistry/Build Evolutionary Library (DWBEL) was loaded with the corresponding *.pdb ADV blind-docking docked files to provide the target docking cavities and with *.sdf files to provide the 2D structure of Tecovirimat. Preference criteria values and their weights for DWBEL co-evolution were as follows: minimal DW docking-scores (weight 4), molecular weight <= 600 g/mol, LogP <= 4 (weight 1) and Toxicity Risks <=1 (weight 4).