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

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Antiallergic Activity of Substituted Benzamides: Characterization, Estimation and Prediction

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CONTRIBUTORS:

	Author:	Lorentz JÄNTSCHI (Technical University of Cluj-Napoca)
	Author:	Sorana D. BOLBOACA (Iuliu Hatieganu University of Medicine and Pharmacy Cluj-Napoca)

JOURNAL:

Clujul Medical, 80(1), 125 - 132.

YEAR:

2007

PUB TYPE:

Journal Article

SUBJECT(S):

chemistry - biochemistry; chemistry - computational; informatics - models implementation; mathematics - modeling; mathematics - statistics; medicine - immunology

DISCIPLINE:

Pharmacy

HTTP:

http://lori.academicdirect.org/works/?id=137

LANGUAGE:

English

PUB ID:

103-435-982 (Last edited on 2007/07/06 09:31:07 GMT-6)

SPONSOR(S):

ABSTRACT:
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 multivaried 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.

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