Table 17.
Solutions Given by IP-FVS1, IP-FVS1-approx(10), IP-FVS2, IP-FVS2-approx(10), and IP-EM for Each Target Compound with Dataset 3
| Target compound | Type | The obtained solution |
|---|---|---|
| C00022 | IP-FVS1 | R00200, R00212, R00214(N1), R00220, R00470(N1), R00703, R00704(N1), R00782, R00896, R02320, R05605(N1), R05636 |
| IP-FVS1-approx(10) | R03105 is chosen instead of R00896. | |
| IP-FVS2 | NA | |
| IP-FVS2-approx(10) | R00200, R00470(N1), R01220 | |
| IP-EM | NA | |
| C00024 | IP-FVS1 | R00212, R00228, R00230, R00238(N1), R01177(N1), R04386(N1), R05351 |
| IP-FVS1-approx(10) | the same as the above | |
| IP-FVS2 | NA | |
| IP-FVS2-approx(10) | R00212, R03026(N1), R05351 | |
| IP-EM | NA | |
| C00033 | IP-FVS1 | no solution |
| IP-FVS2 | NA | |
| IP-FVS2-approx(10) | R00212, R00238(N1), R05351 | |
| IP-EM | NA | |
| C00036 | IP-FVS1 | R00345, R00355, R00483(N1) |
| IP-FVS1-approx(10) | R00345, R00355, R00357 | |
| IP-FVS2 | NA | |
| IP-FVS2-approx(10) | R00345, R00485(N1) | |
| IP-EM | NA |
“(N1)” indicates that the reaction appears in N1 but not in N2.