S/N | NSC | Chemical name | Experimental pGI50 | Predicted pGI50 | Residuals |
---|---|---|---|---|---|
1t | 267,469 | Deoxydoxorubicin | 7.31 | 7.19 | 0.12 |
2 | 269,148 | MENOGARIL | 5.93 | 6.20 | − 0.27 |
3 | 268,242 | N,N-Dibenzyldaunorubicin hydrochloride | 8.00 | 7.98 | 0.02 |
4 | 126,771 | Dichloroallyl lawsone | 4.79 | 5.91 | − 1.12 |
5 | 136,044 | RHODOMYCIN A | 7.37 | 6.63 | 0.74 |
6 | 140,377 | Arnebin 1 | 6.32 | 5.69 | 0.64 |
7 | 196,524 | epsilon.-Rhodomycinone | 5.71 | 6.00 | − 0.28 |
8 | 212,509 | 4beta-Hydroxywithanolide | 6.48 | 6.23 | 0.25 |
9 | 215,139 | Bikaverin | 5.93 | 6.33 | − 0.40 |
10 | 236,613 | Plumbagin | 6.02 | 6.08 | − 0.07 |
11t | 257,450 | Dermocybin | 5.05 | 5.90 | − 0.85 |
12 | 143,095 | Pyrozofurin | 3.43 | 3.89 | − 0.45 |
13 | 629,971 | 9-Aminocamptothecin (R,S) | 6.68 | 6.56 | 0.12 |
14t | 606,173 | 11-Hydroxymethyl-20(RS)-camptothecin | 5.34 | 5.46 | − 0.11 |
15t | 364,830 | CAMPTOTHECIN,N-DIETHYL) GLYCINATE | 6.66 | 6.78 | − 0.12 |
16 | 94,600 | Camptothecin | 6.76 | 6.46 | 0.30 |
17 | 606,985 | CAMPOTHECIN ANALOG | 6.71 | 6.29 | 0.42 |
18 | 606,499 | Camptothecin butylglycinate ester hydrochloride | 5.55 | 5.83 | − 0.29 |
19 | 606,497 | Camptothecinethylglycinate esterhydrochloride | 5.83 | 6.06 | − 0.23 |
20t | 176,323 | 9-Methoxycamptothecin | 7.00 | 6.83 | 0.17 |
21 | 3,088 | Chlorambucil | 4.99 | 4.93 | 0.06 |
22 | 338,947 | Clomesone | 3.36 | 3.12 | 0.25 |
23 | 95,678 | Picolinaldehyde | 5.35 | 5.74 | − 0.39 |
24 | 264,880 | Dihydro-5-azacytidine | 4.96 | 4.38 | 0.58 |
25t | 71,851 | alpha.-Thiodeoxyguanosine | 3.66 | 3.84 | − 0.18 |
26t | 132,483 | L-Aspartic acid | 4.00 | 4.82 | − 0.82 |
27t | 308,847 | Amonafide | 5.48 | 5.41 | 0.07 |
28t | 355,644 | Anthra[1,9-cd]pyrazol-6(2H)-one der | 10.00 | 8.01 | 1.99 |
29t | 63,878 | Cytosine, monohydrochloride | 5.55 | 4.25 | 1.30 |
30 | 182,986 | Diaziquone | 5.19 | 6.08 | − 0.89 |
31t | 139,105 | TRIAZINATE | 6.11 | 6.55 | − 0.44 |
32 | 409,962 | Carmustine | 4.08 | 3.90 | 0.18 |
33 | 337,766 | BISANTRENE HYDROCHLORIDE | 8.00 | 7.92 | 0.08 |
34 | 750 | Busulfan | 3.61 | 3.89 | − 0.28 |
35t | 95,382 | Camptothecin, acetate | 5.46 | 6.02 | − 0.56 |
36t | 107,124 | 10-Hydroxycamptothecin | 7.30 | 7.30 | 0.00 |
37 | 79,037 | Lomustine | 4.74 | 4.74 | 0.00 |
38 | 132,313 | Dianhydrodulcitol | 4.14 | 3.74 | 0.41 |
39 | 376,128 | AC1L2OAS | 9.21 | 9.21 | 0.00 |
40 | 73,754 | Fluorodopan | 3.66 | 3.56 | 0.11 |
41 | 148,958 | Uracil | 3.27 | 3.64 | − 0.37 |
42 | 1895 | Guanazole | 2.18 | 2.82 | − 0.65 |
43 | 329,680 | Hepsulfam | 3.36 | 3.57 | − 0.21 |
44 | 142,982 | Hycanthone mesylate | 5.40 | 5.77 | − 0.37 |
45 | 32,065 | Hydroxyurea | 2.95 | 2.52 | 0.43 |
46 | 153,353 | Alanosine monosodium salt | 4.26 | 4.09 | 0.17 |
47ta | 249,992 | Amsacrine | 6.21 | 6.07 | 0.14 |
48t | 740 | Methotrexate | 5.47 | 5.37 | 0.10 |
49 | 95,441 | Semustine | 4.59 | 4.61 | − 0.03 |
50 | 26,980 | Mitomycin C | 6.04 | 5.32 | 0.73 |
51 | 353,451 | Mitozolomide | 4.00 | 3.09 | 0.91 |
52ta | 268,242 | N,N-Dibenzyldaunorubicin hydrochloride | 5.91 | 6.49 | − 0.58 |
53t | 95,466 | Urea, | 3.67 | 3.50 | 0.16 |
54 | 25,154 | Pipobroman | 3.99 | 4.32 | − 0.32 |
55t | 56,410 | Profiromycin | 5.35 | 5.42 | − 0.08 |
56t | 366,140 | Pyrazoloacridine mesylate | 6.26 | 6.71 | − 0.45 |
57 | 51,143 | Pyrazoloimidazole | 2.55 | 3.11 | − 0.56 |
58 | 172,112 | Spiromustine | 3.68 | 4.88 | − 1.20 |
59 | 125,973 | Paclitaxel; | 7.54 | 8.10 | − 0.56 |
60 | 296,934 | Teroxirone | 4.51 | 4.38 | 0.14 |
61t | 363,812 | 5-((4-chlorobenzyl)thio)-3-(trifluoromethyl)-1H-1,2,4-triazole | 6.67 | 4.90 | 1.76 |
62 | 361,792 | 3-Demethylthiocolchicine; | 7.53 | 7.55 | − 0.02 |
63 | 752 | 6-Thioguanine | 5.50 | 4.79 | 0.71 |
64 | 6396 | Thiotepa | 4.80 | 4.85 | − 0.05 |
65 | 9,706 | Triethylenemelamine | 4.93 | 5.10 | − 0.17 |
66ta | 83,265 | Tritylcysteine | 5.77 | 5.36 | 0.41 |
67 | 49,842 | Vinblastine sulfate | 9.13 | 8.23 | 0.91 |
68 | 67,574 | Vincristine sulfate | 6.59 | 8.11 | − 1.52 |
69 | 757 | Colchicine | 8.37 | 7.02 | 1.35 |
70 | 33,410 | N-Benzoyl-deacetylcolchicine | 7.80 | 6.59 | 1.20 |