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Table 3 Results for cytotoxicity (C) models

From: Structure-activity models of oral clearance, cytotoxicity, and LD50: a screen for promising anticancer compounds

Model

Cell Line

Task set

Kernel

Average test set precision, (+) labels

Average test set precision, (-) labels

C.1

H460

LC50

Gaussian

0.707 (0.032)

0.809 (0.008)

C.2

H460

LC50 & TGI

Gaussian

LC50: 0.711 (0.034) TGI: 0.732 (0.021)

LC50: 0.809 (0.009) TGI: 0.834 (0.009)

C.3

H460

TGI

Gaussian

0.729 (0.028)

0.838 (0.009)

C.4

H460

LC50

linear

0.630 (0.056)*

0.788 (0.014)*

C.5

H460

TGI

linear

0.683 (0.047)**

0.803 (0.013)**

C.6

MCF7

LC50

Gaussian

0.675 (0.019)

0.801 (0.011)

C.7

MCF7

LC50 & TGI

Gaussian

LC50: 0.674 (0.036) TGI: 0.685 (0.027)

LC50: 0.798 (0.016) TGI: 0.820 (0.012)

C.8

SF-268

LC50 & TGI

Gaussian

LC50: 0.665 (0.056) TGI: 0.698 (0.047)

LC50: 0.826 (0.014) TGI: 0.845 (0.013)

  1. * Significant differences by ANOVA (p < 0.05): C.4 vs. C.1 and C.2
  2. ** Significant differences by ANOVA (p < 0.05): C.5 vs. C.2 and C.3