Using Pareto points for model identification in predictive toxicology

Table 1 Analysis of chemical compound similarities in order to highlight the difference of the chemical activity for the TETRATOX dataset

f_sim/diff_activ	0	0.1	0.2	0.3	0.4	0.5	0.6	0.7
0	1	2	2	2	2	2	2	2
0.1	3	13	27	44	51	62	70	79
0.2	6	112	220	335	431	512	585	655
0.3	16	318	617	933	1213	1474	1719	1928
0.4	32	720	1402	2081	2701	3297	3840	4328
0.5	66	1380	2726	4042	5227	6437	7536	8547
f _sim / *diff* _activ	0.8	0.9	1	1.1	1.2	1.3	1.4	1.5
0	2	2	2	2	2	2	2	2
0.1	84	90	93	96	99	103	104	104
0.2	700	753	782	801	827	842	849	858
0.3	2106	2278	2412	2507	2621	2715	2784	2821
0.4	4763	5160	5526	5837	6119	6360	6575	6724
0.5	9481	10362	11167	11840	12488	13082	13589	14004