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Table 4 Comparison of experimental activity (pIC50), predicted activity (pIC50), and residual of developed model

From: Predicting the bioactivity of 2-alkoxycarbonylallyl esters as potential antiproliferative agents against pancreatic cancer (MiaPaCa-2) cell lines: GFA-based QSAR and ELM-based models with molecular docking

S/No Experimental activity (pIC50) Predicted activity (pIC50) Residual
1 4.9115 4.9067 0.0048
2 4.0000 4.0070 −0.0070
5 4.4743 4.4012 0.0731
6a 4.2248 4.3582 −0.1334
7a 4.5452 4.4373 0.1078
8 4.6548 4.6486 0.0062
9a 4.3706 4.4557 −0.0852
10a 4.6185 4.5560 0.0625
11 4.5424 4.5056 0.0368
12a 4.0000 3.8942 0.1058
13 4.1748 4.1651 0.0097
14 4.0000 3.9974 0.0026
15 4.0000 4.0032 −0.0032
16 4.0000 3.9531 0.0469
17 4.1392 4.2393 −0.1002
18a 4.1395 3.9735 0.1660
19 4.1914 4.1859 0.0055
20a 4.0000 3.7604 0.2396
21 4.8573 4.8269 0.0304
22 5.4750 5.5102 −0.0353
23 5.3344 5.3283 0.0061
24 4.0786 4.0943 −0.0156
25a 4.0232 4.0193 0.0039
26 4.1232 4.1841 −0.0609
  1. aTest set