Descriptor Value range Number of similarities/% MW <-10; 10> 1539329 / 3.94 AlogP <0.52; 3.52> 18608726 / 47.61 TopoPSA <-5.0; 5.0> 446254 / 1.14 nHBAcc <-1; 1> 4833500 / 12.37 nHBDon <-1; 1> 1754086/4.49 MW – Molecular Weight AlogP – Atomic Based Partition Coefficient TopoPSA – Topological Polar Surface Area nHBAcc – Number Of Hydrogen Bond Acceptors nHBDon – Number Of Hydrogen Bond Donors 100% similarities means 39088000 similarity values for each of the five individual descriptors.

Table 1: Difference value ranges for descriptor similarity in the correlation between the tests compounds, used for determining the intersection of both compound databases (Drug-Bank vs. trieptides).