Lorentz JÄNTSCHI and Sorana D. BOLBOACA (2007) Structure-Activity Relationships on the Molecular Descriptors Family Project at the End

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Structure-Activity Relationships on the Molecular Descriptors Family Project at the End

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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:

Leonardo Electronic Journal of Practices and Technologies, 6(11), 163 - 180.

YEAR:

2007

PUB TYPE:

Journal Article

SUBJECT(S):

chemistry - biochemistry; chemistry - computational; informatics - models implementation; mathematics - modeling; research - evaluation

DISCIPLINE:

Chemistry

HTTP:

http://lejpt.academicdirect.org/A11/163_180.pdf

LANGUAGE:

English

PUB ID:

103-440-188 (Last edited on 2008/01/19 09:23:00 US/Mountain)

SPONSOR(S):

ABSTRACT:
Molecular Descriptors Family (MDF) on the Structure-Activity Relationships (SAR), a promising approach in investigation and quantification of the link between 2D and 3D structural information and the activity, and its potential in the analysis of the biological active compounds is summarized. The approach, attempts to correlate molecular descriptors family generated and calculated on a set of biological active compounds with their observed activity. The estimation as well as prediction abilities of the approach are presented. The obtained MDF SAR models can be used to predict the biological activity of unknown substrates in a series of compounds.

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