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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