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.