To derive new conformers, those were first randomly generated from the L parents and then selected for best-fitting their corresponding CSP C, as defined above by employing DWBEL co-evolutions. To start each DWBEL coevolution two inputs were required: i) one 2D-parent (L), to generate new rawchildren conformers by small chemical random changes, and ii) one 3D-cavity (C), on CSP to evaluate each raw children conformer by their fitting affinities together with their toxicity risks and other preference criteria (fitted-children). The number of iterations and preference criteria were adjusted to generate tens of thousands of raw-children to generate and select a few thousands of non-toxic C-fitted-children 3D conformers (Supplementary Materials / DWBELhowto.mp4).