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Table 5 External validation 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

Name ATSC3c MATS5p minHBint5 ETA_Shape_P Yexptest Ypredtest
10 0.1896 −0.2790 0.0000 0.2778 4.6185 4.5560
12 0.0761 −0.0651 0.0000 0.1471 4.0000 3.8942
18 0.0244 −0.2706 0.0000 0.1471 4.1395 3.9735
20 0.0417 −0.2081 1.6445 0.1887 4.0000 3.7604
25 0.0817 −0.1618 0.0000 0.1613 4.0232 4.0193
6 0.1136 −0.2585 0.0000 0.2672 4.2248 4.3582
7 0.1352 −0.3068 0.0000 0.2609 4.5452 4.4373
9 0.1967 −0.3069 0.0000 0.1961 4.3706 4.4557