Second, the atomic level surgery of a small molecule from any source, screening or otherwise, is useful to develop high interaction -and-specificity to a protein site. This includes hit to lead molecule alterations. Atomic interaction modeling including solvent and entropy enables the computational process. Large numbers of docking jobs identify binding modes, points of interaction or non-interaction, covalent or non-covalent prospects. This gives information about possible chemical purposeful modification of compounds pertaining to ADME or interaction improvements.