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. 2016 Oct 13;11(10):e0164589. doi: 10.1371/journal.pone.0164589

Table 1. Optimal results for the drug discovery problems with different deficient conditions.

Therapeutic effect Therapeutic and adverse effects Therapeutic, adverse and variation effects
Disease T* A V Detected target T* A* V Detected target T* A* V* Detected target
VM50 1 1 0.636 α13 1 1 0.636 α13 0.839 0.839 0.926 α15
VM70 1 1 0.107 α13 1 1 0.107 α13 0.818 0.873 0.818 α15, α60
VM90 1 0.651 0.009 α13, α15 0.994 0.994 0 α2, α13, α15 0.697 0.749 0.697 α13, α15, α60
VM95 1 0.052 0.019 α10, α13, α15 1 1 0.13 α6, α13, α15, α31 0.574 0.611 0.574 α13, α15, α16, α60
TH50 1 0.975 0.958 α56 1 1 0.543 α31 0.999 0.974 0.974 α42
TH70 1 0.945 0.826 α56 1 1 0.426 α9 0.97 0.92 0.92 α56
TH90 1 1 0.329 α2, α14 1 1 0.334 α2, α14 0.851 0.998 0.851 α14, ut
TH100 1 0.929 0.087 ut, ul 0.951 0.951 0.105 ut, ul 0.651 0.588 0.588 α2, α8, ut, ul, ud

VM50 and VM95 reflect 50% and 95% deficiency of VMAT2, respectively, whereas TH50 and TH100 indicate 50% and 100% deficiency of TH, respectively. Furthermore, ut, ul, and ud denote the external control for tyrosine, L-DOPA, and intracellular dopamine, respectively. αj is the enzyme activity for the jth reaction rate. T, A, and V denote the satisfaction grade for therapeutic, adverse, and variation effects, respectively.

* indicates the optimal solution.