chemistry journal of moldova

More documents

Recommendations

Info

N.Gorinchoy et al./Chem.J.Mold. 2008, 3 (1), 94-104Step 4. Identifi cation of the toxicophore (Tph)The ECSA sub-matrix that represents the Tph was obtained by comparing the ECMC’s of the first four mosttoxic compounds in the training set. Applying the procedure described earlier [8] assuming reasonable tolerances wegot the following common 4x4 submatrix of activity:O30.457C6C5C34.7530.3283.5981.4480.2952.8042.7802.4180.296(2)Analyzing the ECMC of the active compounds in the training set we found that the same ECSA obtained fromthe four most active compounds satisfies the next 17 compounds in some conformation assuming some reasonabletolerances for the matrix elements (see below). These compounds and their corresponding ECSA are shown in Table 2with the circled four toxicophore atoms corresponding to these 4x4 matrices.Table 2The electron-conformational submatrices of toxicity and molecular structures for 17 compounds containing the Tph.The four toxicophore atoms are marked by circles.1O30.4584.753 3.598 2.804C60.328 1.448 2.780C50.295 2.418C30.2962Cl50.332Cl2C1C34.2990.3323.7881.0590.3072.6573.0752.4710.2813O10.452C2C1C64.7240.3213.5601.3880.2782.8352.7882.4230.29445Cl20.401C1C2C3Cl20.399C6C5C34.9510.3964.6470.3143.7620.9650.2953.4671.4510.3182.6532.4691.9430.2953.4372.7842.4150.32097
98N.Gorinchoy et al./Chem.J.Mold. 2008, 3 (1), 94-10460.3072.4080.2992.7901.4040.3043.0693.8384.9480.3962341CCCCl70.2962.8220.2532.4251.4260.3053.2084.5134.9920.4523653CCCO80.3122.8020.2782.4331.3680.3212.6573.9534.4670.3336324CCCCl90.3182.7830.3152.4101.4500.3163.4544.6385.1290.4002541CCCCl100.2821.9030.3472.6261.0110.36872.6523.7495.0960.3972312CCClCl110.3102.8080.2952.4311.4050.3212.6583.9574.4610.3366322CCCCl170.3482.4230.3192.8001.4280.3032.7913.6034.7640.4592454CCCO180.3382.6610.3093.0481.1190.3353.0663.9615.3080.3383242ClCClCl
Page 7:
Chemistry Journal of Moldova. Gener
Page 10:
Chemistry Journal of Moldova. Gener
Page 14 and 15:
Gh. Duca et al./Chem.J. Mold.. 2008
Page 16 and 17:
Page 20 and 21:
Page 22 and 23:
Page 24 and 25:
Page 26 and 27:
Page 28 and 29:
Page 30 and 31:
Page 32 and 33:
Chemistry Journal of Moldova. Ion D
Page 34 and 35:
Ion Dranca/Chem.J. Mold. 2008, 3 (1
Page 36 and 37:
Page 38 and 39:
Page 40 and 41:
Page 42 and 43:
Page 44 and 45:
Page 46 and 47:
M. Revenco et al./Chem.J. Mold. 200
Page 48 and 49: M. Revenco et al./Chem.J. Mold. 200
Page 50 and 51: Gh. Zgherea/Chem.J. Mold. 2008, 3 (
Page 58 and 59: G. Vasile et al./Chem.J. Mold. 2008
Page 64 and 65: V. Mukhin et al./Chem.J.Mold. 2008,
Page 66 and 67: V. Mukhin et al./Chem.J.Mold. 2008,
Page 68 and 69: Chemistry Journal of Moldova. N. Ku
Page 70 and 71: N. Kulikov et al./Chem.J.Mold. 2008
Page 72 and 73: V. Gladchi et al./Chem.J.Mold. 2008
Page 78 and 79: Chemistry Journal of Moldova. R. St
Page 80 and 81: R. Sturza et al./Chem.J.Mold. 2008,
Page 86 and 87: Chemistry Journal of Moldova. V. Bo
Page 88 and 89: V. Boldescu et al./Chem.J.Mold. 200
Page 90 and 91: Chemistry Journal of Moldova. I. Lu
Page 92 and 93: I. Lunga et al./Chem.J.Mold. 2008,
Page 94 and 95: I. Lunga et al./Chem.J.Mold. 2008,
Page 96 and 97: N.Gorinchoy et al./Chem.J.Mold. 200
Page 106 and 107: Chemistry Journal of Moldova. N.Gor
Page 114 and 115: I. Ogurtsov, A. Tihonovschi / Chem.
Page 120 and 121: M. Gonta et al./Chem.J.Mold. 2008,
Page 128 and 129: Chemistry Journal of Moldova. N. Se
Page 130 and 131: Chemistry Journal of Moldova. D. Ba
Page 132 and 133: D. Batîr/Chem.J.Mold. 2008, 3 (1),
Page 134 and 135: CHEMISTRY JOURNAL OF MOLDOVA.Genera
Page 136 and 137: CHEMISTRY JOURNAL OF MOLDOVA.Genera
Page 138: CHEMISTRY JOURNAL OF MOLDOVA.Genera
show all

chemistry journal of moldova

Create successful ePaper yourself

Delete template?

Save as template?