Antiallergic Activity of Substituted Benzamides: Characterization, Estimation and Prediction

JÄNTSCHI, Dr. Lorentz and BOLBOACA, Dr. Sorana D. (2007) Antiallergic Activity of Substituted Benzamides: Characterization, Estimation and Prediction. [Journal (Paginated)]

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Antiallergic activity of twenty-three substituted N 4-methoxyphenyl benzamides was model by the use of an original methodology. After sketching out the compounds structure and creating the file with the observed activities, strictly based on compounds structure, the molecular descriptors family was generated and descriptors entered into a multiple linear regression analysis. The multi-varied model with four descriptors proved to render higher ability in estimation (squared correlation coefficient, r2 = 0.9986) as well as in prediction (cross-validation leave-one-out score, r2cv-loo = 0.9956) of antiallergic activity of compounds, obtained significantly greater correlation coefficient compared with the previously reported model (p < 0.01). Characterization of antiallergic activity of substituted N 4-methoxyphenyl benzamides by integration of complex structure information provides a stable and efficient multi-varied model with four descriptors. According with the multi-varied model with four descriptors the antiallergic activity of substituted N 4-methoxyphenyl benzamides is like to be of geometry nature, depending by the number of directly bonded hydrogen’s, and the atomic relative mass, being in relation with the partial charge of compounds.

Item Type:Journal (Paginated)
Keywords:Molecular Descriptors Family on Structure-Activity Relationships (MDF-SAR); Substituted N 4-methoxyphenyl benzamides; Antiallergic activity; Multiple linear regression (MLR)
Subjects:Computer Science > Statistical Models
ID Code:5744
Deposited By: JÄNTSCHI, Dr. Lorentz
Deposited On:12 Oct 2007 16:39
Last Modified:11 Mar 2011 08:56

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