From: Analogue-based approaches in anti-cancer compound modelling: the relevance of QSAR models
No | Cell lines (Type) | Regression equation | R2 | RCV 2 | AE | O | s2 | F | # Comp. | ||
---|---|---|---|---|---|---|---|---|---|---|---|
 |  |  |  |  |  |  |  |  | TR | TE | PD |
S3 | U937 (lymphoma) | = -22.0891* MiBOH +8.67391* MiVN -52.0125* H-HD-2/T -7.61902 | 0.84 | 0.75 | 0.14 | 0 | 0.029 | 32.41 | 15 | 4 | 8 |
S4 | KBvin (nasopharyngeal) | = -5.01349**HC-1/T -5.01844* PP/SD -0.768924* MaNACC +3.76504 | 0.99 | 0.98 | 0.02 | 0 | 0.047 | 31.28 | 17 | 4 | 0 |
S7 | LNCaP (prostate) | = -18.4821*RNC-0.0467594*PS-3Az-22.7663*HS-1/T+15.7067 | 0.84 | 0.75 | 0.39 | 1 | 0.175 | 51.03 | 17 | 4 | 5 |
S8 | A375 (melanoma) | = -126.706*Mi1ERS-48.08*RNN -49.070* MaERN +5.9514 | 0.91 | 0.88 | 0.24 | 0 | 0.164 | 48.73 | 16 | 4 | 13 |
S9 | MB231 (breast) | = 32.1529* ABC -64.8239* H-HD-2/T -0.546856* HE -31.4458 | 0.71 | 0.58 | 0.33 | 1 | 0.099 | 30.56 | 17 | 4 | 13 |
S10 | DU-145 (prostate) | = 10.2264*MaBOC+0.17954*TPCCMD-1904.46*MiERO-14.72 | 0.86 | 0.74 | 0.23 | 0 | 0.091 | 36.82 | 16 | 5 | 7 |
S1 | Hs-638 (glioblastoma) | = 9.68671* MaVC -1671.96* A1ERC -2.78721*MiVO -30.7528 | 0.83 | 0.70 | 0.08 | 1 | 0.009 | 29.13 | 17 | 5 | 16 |
S2 | K562 (blood) | = 0.039572* H-HC-1Q-0.264148* RPCSZ-28043.6*MiERC+1.5088 | 0.62 | 0.46 | 0.19 | 0 | 0.061 | 8.70 | 19 | 6 | 10 |
S5 | HeLa (cervical) | = 0.306112* ACI2+ 5.47295*MiPCO +0.533647* RNAB +1.85607 | 0.57 | 0.51 | 0.07 | 1 | 0.006 | 15.88 | 27 | 9 | 0 |
S6 | B16-F1 (melanoma) | = -0.236646*KHI3-9.21013*MV/X-128.278*MaPCH+13.064 | 0.65 | 0.34 | 0.28 | 0 | 0.096 | 22.23 | 25 | 6 | 6 |