Clujul Medical - Iuliu Haţieganu

Clujul Medical 2006 vol. LXXX - nr. 1
The absolute differences between estimated by models (Ŷ2d, Ŷ4d, and ŶCoMFA)
and measured (logIR) antiallergic activities of substituted N 4-methoxyphenyl
benzamides were used in order to obtain the best estimation (figure 2).
0.8
0.7
0.6
0.5
0.4
0.3
0.2
0.1
0.0
|Ŷ2d-logIR| |Ŷ4d-logIR| |ŶCoMFA-logIR|
1 2 3 4 5 6 7 8 9 1011121314151617181920212223
Compound
Figure 2. Measured (logIR) and estimated activities of compounds using MDF-SAR
models and previously reported CoMFA model
In eleven out of twenty-three cases, the best estimation is obtained by multivaried
MDF-SAR model with four descriptors (see figure 3).
1.0
0.9
0.8
0.7
0.6
0.5
0.4
0.3
0.2
0.1
0.0
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23
MDF-SAR 2d MDF-SAR 4d CoMFA
Figure 3. Best estimation antiallergic activity by MDF-SAR and CoMFA models
129