NO.

Compounds

 status MW Experimental
(μg//L) 		HM
(μg//L) 		SVM
(μg//L)
1 2-Aminoethanol Training 61.08 6.5662 4.5114 4.8806
2 4-Aminophenol Training 109.13 2.6720 1.8662 2.2334
3 Benzoicacid Training 122.12 4.3031 2.1385 2.3162
4 4-Bromoindole Training 195.95 3.6720 1.678 1.4798
5 5-Bromoindole Training 196.05 3.7250 1.7252 1.5358
6 6-Bromoindole Training 196.05 3.96426 2.3408 2.2578
7 2-Bromophenol Training 173.01 4.6543 2.0823 2.2993
8 3-Bromophenol Training 173.01 4.7829 3.2246 2.7912
9 4-Bromophenol Training 173.01 4.6657 3.3539 2.9999
10 n-Butylamine Training 73.14 4.5552 3.743 2.408
11 sec-Butylamine Training 73.14 4.9784 2.0591 2.2457
12 Butyldiglycol Training 162.23 6.1077 1.8154 2.3225
13 2-Chloroaniline Training 127.6 4.4517 3.8754 2.8491
14 3-Chloroaniline Training 127.6 4.3222 3.0148 2.7056
15 4-Chloroaniline Training 127.6 4.3280 1.7793 1.5822
16 4-Chlorophenol Training 128.56 4.5800 1.6495 2.0511
17 Cyclohexanol Training 100.16 6.1405 1.9123 2.32
18 Cyclohexylamine Training 99.18 4.8019 2.7298 2.5952
19 n-Decylamine Training 157.3 3.4977 1.4561 2.0633
20 2,4-Dibromophenol Training 251.9 3.9003 1.4761 2.0776
21 2,6-Dibromophenol Training 251.9 4.6208 3.8754 2.8491
22 Dibutylamine Training 129.25 4.6069 3.3737 2.9902
23 2,4-Dichloroaniline Training 162.02 4.3324 5.1731 2.8854
24 3,4-Dichloroaniline Training 162.02 3.3031 3.3448 3.0048
25 Dicyclohexylamine Training 181.32 4.4939 2.2432 2.8373
26 Diethylamine Training 73.14 4.9696 2.0318 2.6624
27 Diethyleneglycol Training 106.14 7.7059 3.6017 1.9352
28 N,N-Diethylmethylamine Training 87.16 4.8450 3.3448 3.0048
29 N,N-Diisopropylethylamine Training 129.25 5.0193 2.9621 2.8025
30 Diisobutylamine Training 129.3 4.6738 2.3816 2.6403
31 Diisopropylamine Training 101.2 4.9613 3.7035 3.1539
32 N,N-Dimethylamine Training 45.09 5.5985 5.4871 4.7149
33 N,N-Dimethylanilin Training 121.2 4.7342 1.1533 1.7563
34 N,N-Dimethylbutylamine Training 101.19 4.7075 0.7109 1.3753
35 N,N-Dimethylcyclohexylamine Training 127.23 4.7247 1.5988 1.7464
36 N,N-Dimethylethylamine Training 73.14 4.9183 5.1469 5.2986
37 N,N-Dimethylformamide Training 73.09 6.9746 4.8383 4.789
38 4,6-Dinitro-o-cresol Training 198.14 2.5910 4.5685 3.9195
39 2,4-Dinitrophenol Training 184.11 2.9542 2.4241 2.8188
40 Dipentylamine Training 157.3 4.6313 2.7028 2.7623
41 Dipropylamine Training 101.19 4.4936 2.4946 2.2544
42 Ethanol Training 46.1 7.0625 3.2158 4.2721
43 Ethylacetate Training 88.106 6.2692 2.9198 2.9311
44 Ethylenediamine Training 60.1 5.5984 3.5851 4.5713
45 1-Ethylpiperidine Training 113.2 4.8531 6.14 5.7386
46 2-Ethylpiperidine Training 113.2 4.9729 3.7661 2.8756
47 n-Heptylamine Training 115.22 4.4541 4.5401 4.1437
48 n-Hexylamine Training 101.19 4.6261 5.746 5.3312
49 Hydroquinone Training 110.11 3.8976 4.0228 4.1965
50 Hydroxyurea Training 76.05 6.2530 5.1664 5.3695
51 Isobutylamine Training 73.1 4.966694 4.201 4.4596
52 Isopentylamine Training 87.16 4.7715 2.315 2.1711
53 Isopropylamine Training 59.11 6.4425 2.6561 2.616
54 Methanol Training 32.04 7.3443 2.668 2.6086
55 Methoxyaceticacid Training 90.08 4.7298 4.6482 3.7387
56 2-Methoxyethanol Training 76.09 7.3125 1.4622 1.8345
57 1-Methoxy-2-propanol Training 90.12 7.1434 1.9533 2.2345
58 3-Methyl-1-butanol Training 88.17 6.0097 1.07 2.513
59 N-Methylamine Training 31.1 5.8525 2.0118 1.8028
60 N-Methylanilin Training 107.2 4.5339 3.1082 2.2898
61 N-Methylformamide Training 59.07 7.0408 1.2202 2.3192
62 1-Methylpiperidine Training 99.18 4.8346 2.956 2.9168
63 2-Methylpiperidine Training 99.18 5.0100 1.5135 1.2284
64 4-Methylpiperidine Training 99.18 4.9681 3.0818 2.47
65 Morpholine Training 87.12 5.7790 4.7142 5.0932
66 2-Nitroaniline Training 138.1 4.3324 2.3356 2.3419
67 4-Nitrobenzoicacid Training 167.12 4.4756 2.0638 2.3089
68 4-Nitrophenol Training 139.11 4.7573 1.2928 1.818
69 n-Nonylamine Training 143.27 4.0592 4.6492 2.7816
70 1-Octanol Training 130.23 4.18752 4.3523 5.4814
71 n-Octylamine Training 129.25 4.4058 0.5177 0.9196
72 Pentachlorophenol Training 266.34 2.7403 2.8802 2.3573
73 n-Pentylamine Training 87.16 4.4893 1.7798 1.2701
74 4-tert-Pentylphenol Training 164.24 3.5440 2.5337 1.7304
75 Phenol Training 94.11 5.3222 2.7298 2.5952
76 Piperidine Training 85.2 5.0433 3.9809 2.4011
77 2-Propanol Training 60.1 6.9721 5.3213 5.0889
78 n-Propylamine Training 59.11 4.8984 3.5419 2.5303
79 Salicylicacid Training 138.12 4.3577 4.8308 5.2073
80 Tetrachloroethylene Training 165.83 4.4281 2.8316 2.9567
81 2,4,6-Tribromophenol Training 330.8 3.6454 2.0737 2.352
82 Triethyleneglycol Training 150.2 7.7315 0.9536 2.5847
83 Urea Training 60.06 7.3598 2.354 2.2464
84 2,5-Hexanedion Test 114.14 6.6691 6.0191 5.6191
85 Acetone Test 58.08 4.0211 3.9211 3.0111
86 Acrolein Test 56 2.5682 1.9682 1.5682
87 Chloroacetaldehyde Test 78 3.5251 3.9551 2.9351
88 Diazinon Test 304.34 4.4961 4.1161 4.0161
89 Diethylene glycol dimethyl ether Test 134.18 7.0436 6.5236 7.9436
90 Dimethyl sulfoxide Test 78.13 7.4638 6.4638 6.1238
91 D-Mannitol Test 182.17 4.8908 5.0108 3.3508
92 Formamide Test 45.041 6.9610 7.0610 2.9210
93 p-tert-Butylphenol Test 150.22 3.2380 2.2380 1.2380
94 Quinone Test 108.09 2.6739 1.9739 0.6739
95 Saccharin sodium salt hydrate Test 241.2 7.3211 6.2111 8.11211
96 Tridecylmono-octylether Test 244.4 3.1568 2.1268 1.1128
97 Valproicacid Test 144.21 4.3051 3.9151 2.3751
Table 1: The experimental values of all compounds and the predicted LC50 by HM and SVM.